
#######################################################
#                                                     #
#                        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:    91       3_A - 93_A        4.83    27.64
  LONGEST_CONTINUOUS_SEGMENT:    91       4_A - 94_A        4.92    27.44
  LCS_AVERAGE:     49.31

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    67      11_A - 77_A        2.00    28.55
  LCS_AVERAGE:     28.90

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36       9_A - 44_A        0.96    28.38
  LONGEST_CONTINUOUS_SEGMENT:    36      10_A - 45_A        0.85    28.41
  LCS_AVERAGE:     12.75

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   87      0    3    3    3    4    7    8    9   14   21   34   62   71   73   76   77   78   83   86   89 
LCS_GDT     S     2_A     S     2_A      4    5   88      4    4    4    4    4    5    8   11   23   34   56   64   71   72   73   76   78   78   83   86 
LCS_GDT     R     3_A     R     3_A      4   45   91      4    4    4    4    5   41   50   58   65   67   70   73   75   76   77   83   83   86   89   90 
LCS_GDT     I     4_A     I     4_A     16   46   91      4    4    9   19   28   42   51   55   65   69   70   74   75   78   78   83   83   88   89   90 
LCS_GDT     D     5_A     D     5_A     18   46   91      5   11   17   28   37   48   51   55   63   69   70   74   75   78   78   83   83   88   89   90 
LCS_GDT     E     6_A     E     6_A     18   46   91      5   13   23   38   43   49   52   58   66   69   70   74   75   78   78   83   86   88   89   90 
LCS_GDT     K     7_A     K     7_A     19   47   91      5   15   28   41   46   50   57   65   66   69   73   74   75   78   79   84   86   88   89   90 
LCS_GDT     S     8_A     S     8_A     34   47   91      5   17   33   41   46   54   63   65   67   71   73   74   77   78   82   84   86   88   89   90 
LCS_GDT     S     9_A     S     9_A     36   47   91      5   15   29   41   46   54   63   65   67   71   73   74   77   79   82   84   86   88   89   90 
LCS_GDT     K    10_A     K    10_A     36   47   91      7   25   37   44   49   58   63   65   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     A    11_A     A    11_A     36   67   91      9   27   38   44   54   59   63   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     K    12_A     K    12_A     36   67   91      9   27   39   47   57   59   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     V    13_A     V    13_A     36   67   91      9   33   39   50   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     N    14_A     N    14_A     36   67   91     15   33   39   50   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     D    15_A     D    15_A     36   67   91     15   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     F    16_A     F    16_A     36   67   91      9   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     L    17_A     L    17_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     A    18_A     A    18_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     E    19_A     E    19_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     I    20_A     I    20_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     F    21_A     F    21_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     K    22_A     K    22_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     K    23_A     K    23_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     I    24_A     I    24_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     G    25_A     G    25_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     S    26_A     S    26_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     K    27_A     K    27_A     36   67   91     15   33   39   51   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     E    28_A     E    28_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     N    29_A     N    29_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     T    30_A     T    30_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     K    31_A     K    31_A     36   67   91     21   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     E    32_A     E    32_A     36   67   91     21   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     G    33_A     G    33_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     L    34_A     L    34_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     A    35_A     A    35_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     E    36_A     E    36_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     L    37_A     L    37_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     Y    38_A     Y    38_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     E    39_A     E    39_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     Y    40_A     Y    40_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     K    41_A     K    41_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     K    42_A     K    42_A     36   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     K    43_A     K    43_A     36   67   91     23   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     Y    44_A     Y    44_A     36   67   91     15   31   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     S    45_A     S    45_A     36   67   91      4   27   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     D    46_A     D    46_A     34   67   91      3    4    4    7   17   33   47   64   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     A    47_A     A    47_A      4   67   91      3    4   12   30   45   59   63   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     D    48_A     D    48_A     11   67   91      6   25   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     I    49_A     I    49_A     14   67   91      8   25   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     E    50_A     E    50_A     14   67   91      7   25   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     P    51_A     P    51_A     14   67   91      9   23   37   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     F    52_A     F    52_A     14   67   91      9   23   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     L    53_A     L    53_A     16   67   91     10   25   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     K    54_A     K    54_A     16   67   91     10   25   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     N    55_A     N    55_A     18   67   91      5   19   34   47   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     S    56_A     S    56_A     18   67   91      4   18   34   47   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     S    57_A     S    57_A     18   67   91      4   15   32   44   56   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     Q    58_A     Q    58_A     18   67   91      4   10   31   44   53   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     F    59_A     F    59_A     18   67   91      3    5   32   44   55   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     F    60_A     F    60_A     18   67   91      3   19   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     Q    61_A     Q    61_A     18   67   91     10   25   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     S    62_A     S    62_A     18   67   91      8   25   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     Y    63_A     Y    63_A     18   67   91      8   25   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     V    64_A     V    64_A     18   67   91     11   31   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     E    65_A     E    65_A     18   67   91      8   25   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     R    66_A     R    66_A     18   67   91      8   25   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     G    67_A     G    67_A     18   67   91      8   30   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     L    68_A     L    68_A     18   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     R    69_A     R    69_A     18   67   91     14   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     V    70_A     V    70_A     18   67   91     25   33   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     I    71_A     I    71_A     18   67   91     10   25   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     E    72_A     E    72_A     18   67   91      6   25   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     M    73_A     M    73_A     18   67   91      7   26   39   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     E    74_A     E    74_A     18   67   91      5   23   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     R    75_A     R    75_A     18   67   91      6   23   38   52   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     E    76_A     E    76_A     18   67   91      4   16   35   49   57   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     G    77_A     G    77_A     18   67   91      4   11   20   42   53   61   64   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     K    78_A     K    78_A      6   66   91      3    9   25   37   53   60   63   66   69   71   72   75   77   79   82   84   86   88   89   90 
LCS_GDT     G    79_A     G    79_A      6    7   91      3    4    6    9   11   13   25   28   56   65   68   73   76   79   82   84   86   88   89   90 
LCS_GDT     R    80_A     R    80_A      6    7   91      4    4    6    9   11   13   21   30   38   41   68   73   76   79   82   84   86   88   89   90 
LCS_GDT     I    81_A     I    81_A      6    7   91      4    4    6    9   11   13   21   35   53   60   69   75   77   79   82   84   86   88   89   90 
LCS_GDT     S    82_A     S    82_A      6    7   91      4    4    6    9   11   14   19   50   57   64   68   75   77   79   82   84   86   88   89   90 
LCS_GDT     T    83_A     T    83_A      6    7   91      4    4    6    9   11   13   16   18   22   28   31   44   64   68   79   82   83   84   85   86 
LCS_GDT     S    84_A     S    84_A      3    6   91      3    3    4    5    7   21   23   37   53   60   68   73   76   79   82   84   86   88   89   90 
LCS_GDT     T    85_A     T    85_A      7    8   91      3    4    7    7    8    8   26   39   53   60   69   75   77   79   82   84   86   88   89   90 
LCS_GDT     G    86_A     G    86_A      7    8   91      2    4    7    7    8    9   11   13   23   39   51   68   75   78   82   84   86   88   89   90 
LCS_GDT     I    87_A     I    87_A      7    8   91      0    5    7    7    8    8   11   20   37   47   55   69   75   78   82   84   86   88   89   90 
LCS_GDT     S    88_A     S    88_A      7    8   91      3    5    7    7    8    8   11   20   37   47   55   69   75   78   82   84   85   88   89   90 
LCS_GDT     P    89_A     P    89_A      7    8   91      3    5    7    7    8    8   25   34   47   59   66   73   76   79   82   84   86   88   89   90 
LCS_GDT     Q    90_A     Q    90_A      7    8   91      3    5    7    7    8   12   38   49   53   60   68   75   77   79   82   84   86   88   89   90 
LCS_GDT     M    91_A     M    91_A      7    8   91      3    5    7    7   11   32   43   49   57   66   69   75   77   79   82   84   86   88   89   90 
LCS_GDT     E    92_A     E    92_A      4    8   91      3    3    5    5    8   46   59   66   69   71   73   75   77   79   82   84   86   88   89   90 
LCS_GDT     V    93_A     V    93_A      4    6   91      3    3    5    5    7    9   10   11   55   69   73   74   75   78   79   83   86   88   89   90 
LCS_GDT     T    94_A     T    94_A      4    6   91      3    3    5    5    7    9   10   11   11   11   13   17   75   76   77   77   80   82   83   90 
LCS_GDT     C    95_A     C    95_A      4    7   18      3    3    5    5    7    9   10   11   11   13   14   70   71   74   74   77   77   77   79   80 
LCS_GDT     V    96_A     V    96_A      4    7   18      3    3    4    7    7    9   10   11   13   14   15   15   16   17   18   26   26   77   79   80 
LCS_GDT     P    97_A     P    97_A      6    7   18      3    5    6    7    7    9   10   11   13   14   15   15   16   17   18   22   22   76   80   85 
LCS_GDT     T    98_A     T    98_A      6    7   18      3    5    6    7    7    7   10   11   13   14   15   15   16   17   21   26   73   79   83   85 
LCS_GDT     P    99_A     P    99_A      6    7   18      3    5    6    7    7    9   10   11   13   14   15   15   16   17   21   26   39   41   81   85 
LCS_GDT     T   100_A     T   100_A      6    7   18      3    4    6    7    7    9   10   11   17   19   20   21   24   29   31   58   73   77   81   85 
LCS_GDT     S   101_A     S   101_A      6    7   18      3    5    6    7    7    9   11   13   15   18   22   23   25   29   33   37   45   47   59   64 
LCS_GDT     T   102_A     T   102_A      6    7   18      3    5    6    7    8   10   13   15   18   23   25   31   35   40   47   52   59   65   74   78 
LCS_GDT     V   103_A     V   103_A      5    6   18      3    3    5    8    9   10   14   16   17   19   22   27   35   56   62   70   73   79   83   85 
LCS_GDT     S   104_A     S   104_A      5    9   18      3    4    5    8    9   11   14   16   23   29   36   44   51   57   64   70   73   79   83   85 
LCS_GDT     S   105_A     S   105_A      5    9   18      3    4    5    8    9   11   14   16   23   29   36   44   51   57   64   70   73   79   83   85 
LCS_GDT     I   106_A     I   106_A      5    9   18      3    4    5    9    9   10   15   17   22   23   34   38   43   48   54   58   73   77   83   85 
LCS_GDT     G   107_A     G   107_A      6    9   27      3    4    6    9    9   10   15   17   22   27   34   38   43   48   54   70   73   79   83   85 
LCS_GDT     N   108_A     N   108_A      6    9   28      3    5    7    9    9   12   15   17   22   27   34   38   43   56   62   70   73   79   83   85 
LCS_GDT     T   109_A     T   109_A      6    9   28      4    5    7   12   13   15   18   19   22   23   24   31   35   48   54   70   73   79   83   85 
LCS_GDT     N   110_A     N   110_A      6    9   28      4    5    7    9    9   11   15   18   22   23   23   27   28   48   54   70   73   79   83   85 
LCS_GDT     G   111_A     G   111_A      6    9   29      4    5    7    8    9   10   12   13   14   15   20   31   35   40   47   52   59   65   80   85 
LCS_GDT     E   112_A     E   112_A      6    9   30      4    5    7    8    9   10   12   13   18   23   25   31   35   40   45   52   58   63   69   77 
LCS_GDT     E   113_A     E   113_A      4    9   30      3    4    6    8   11   14   18   19   22   27   29   31   33   37   43   46   51   58   62   67 
LCS_GDT     V   114_A     V   114_A      4   20   30      3    4    7   12   13   14   18   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     G   115_A     G   115_A     17   22   30     10   14   18   19   20   22   24   26   26   28   30   32   34   36   38   43   44   48   51   55 
LCS_GDT     P   116_A     P   116_A     17   22   30     10   14   18   19   20   22   24   26   26   28   30   32   34   36   40   43   46   49   51   55 
LCS_GDT     S   117_A     S   117_A     17   22   30     10   14   18   19   20   22   24   26   26   28   30   32   36   39   40   43   46   49   51   55 
LCS_GDT     V   118_A     V   118_A     17   22   30     10   14   18   19   20   22   24   26   26   28   30   32   36   39   40   43   46   49   51   55 
LCS_GDT     Y   119_A     Y   119_A     17   22   30     10   14   18   19   20   22   24   26   26   28   30   32   36   39   40   43   46   49   51   55 
LCS_GDT     L   120_A     L   120_A     17   22   30     10   14   18   19   20   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     E   121_A     E   121_A     17   22   30     10   14   18   19   20   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     R   122_A     R   122_A     17   22   30      8   14   18   19   20   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     L   123_A     L   123_A     17   22   30      7   14   18   19   20   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     K   124_A     K   124_A     17   22   30      7   14   18   19   20   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     I   125_A     I   125_A     17   22   30     10   14   18   19   20   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     L   126_A     L   126_A     17   22   30      7   14   18   19   20   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     R   127_A     R   127_A     17   22   30      7   14   18   19   20   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     Q   128_A     Q   128_A     17   22   30      6   14   18   19   20   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     R   129_A     R   129_A     17   22   30     10   14   18   19   20   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     C   130_A     C   130_A     17   22   30     10   14   18   19   20   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     G   131_A     G   131_A     17   22   30      5   11   18   19   20   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     L   132_A     L   132_A      4   22   30      3    4    4   15   20   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     D   133_A     D   133_A      4   22   30      3    4   11   19   20   22   23   26   26   28   31   33   36   39   39   43   46   49   51   55 
LCS_GDT     N   134_A     N   134_A      4   22   30      3    4    5   15   19   22   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     T   135_A     T   135_A      4   22   30      3    3    9   18   20   22   24   26   26   28   30   32   35   39   39   40   43   49   51   55 
LCS_GDT     K   136_A     K   136_A      4   22   30      3    3    5    7   19   20   24   26   26   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     Q   137_A     Q   137_A      4    8   30      3    4    5    5    8   11   16   19   25   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     D   138_A     D   138_A      4    8   30      3    4    5    6    8    8    9   12   12   13   19   29   32   39   39   42   46   49   51   55 
LCS_GDT     D   139_A     D   139_A      4    8   30      3    4    5    6    8    9   14   18   23   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     R   140_A     R   140_A      4    8   30      3    4    5    6    6   10   16   18   23   28   31   33   36   39   40   43   46   49   51   55 
LCS_GDT     P   141_A     P   141_A      3    4   30      2    3    3    4    4    4   16   17   20   23   28   33   36   39   40   43   46   49   51   55 
LCS_AVERAGE  LCS_A:  30.32  (  12.75   28.90   49.31 )

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     39     52     57     61     64     66     69     71     73     75     77     79     82     84     86     88     89     90 
GDT PERCENT_AT  17.73  23.40  27.66  36.88  40.43  43.26  45.39  46.81  48.94  50.35  51.77  53.19  54.61  56.03  58.16  59.57  60.99  62.41  63.12  63.83
GDT RMS_LOCAL    0.32   0.51   0.77   1.29   1.42   1.61   1.76   1.90   2.22   2.35   2.68   3.19   3.35   3.61   3.85   4.02   4.27   4.50   4.57   4.70
GDT RMS_ALL_AT  28.87  28.71  28.42  28.73  28.70  28.62  28.66  28.67  28.31  28.46  27.95  27.90  27.88  27.82  27.78  27.73  27.66  27.61  27.60  27.64

# Checking swapping
#   possible swapping detected:  F    16_A      F    16_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    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    13.721     0    0.545   0.592    14.780    0.000    0.000
LGA    S     2_A      S     2_A    15.734     0    0.656   0.763    18.159    0.000    0.000
LGA    R     3_A      R     3_A    11.576     0    0.126   0.980    15.437    0.357    0.130
LGA    I     4_A      I     4_A    11.976     0    0.021   0.083    16.113    0.000    0.000
LGA    D     5_A      D     5_A    11.465     0    0.104   0.972    11.948    0.119    0.060
LGA    E     6_A      E     6_A    10.185     0    0.042   0.820    11.651    1.548    0.688
LGA    K     7_A      K     7_A     8.901     0    0.023   0.166    11.091    4.524    2.222
LGA    S     8_A      S     8_A     7.473     0    0.020   0.051     8.747   10.476    8.651
LGA    S     9_A      S     9_A     7.125     0    0.023   0.678     8.155   15.119   13.095
LGA    K    10_A      K    10_A     5.711     0    0.113   1.062    12.887   24.048   13.280
LGA    A    11_A      A    11_A     4.687     0    0.020   0.032     5.134   34.524   33.905
LGA    K    12_A      K    12_A     3.876     0    0.026   0.061     5.904   43.452   35.132
LGA    V    13_A      V    13_A     2.999     0    0.046   0.688     3.860   55.595   51.293
LGA    N    14_A      N    14_A     2.853     0    0.025   1.089     4.704   60.952   50.714
LGA    D    15_A      D    15_A     2.246     0    0.012   1.004     4.231   69.048   58.929
LGA    F    16_A      F    16_A     1.384     0    0.024   0.079     1.733   81.548   77.576
LGA    L    17_A      L    17_A     1.153     0    0.032   0.145     1.857   81.429   80.417
LGA    A    18_A      A    18_A     1.593     0    0.031   0.036     1.843   77.143   76.286
LGA    E    19_A      E    19_A     1.005     0    0.047   0.878     2.549   83.690   76.984
LGA    I    20_A      I    20_A     0.764     0    0.041   0.094     1.135   85.952   89.405
LGA    F    21_A      F    21_A     1.489     0    0.036   0.071     2.043   75.119   76.017
LGA    K    22_A      K    22_A     1.938     0    0.028   0.081     3.227   70.833   63.333
LGA    K    23_A      K    23_A     1.532     0    0.032   0.606     1.823   72.857   75.714
LGA    I    24_A      I    24_A     1.322     0    0.020   0.061     1.667   77.143   82.679
LGA    G    25_A      G    25_A     1.832     0    0.156   0.156     2.705   66.905   66.905
LGA    S    26_A      S    26_A     1.983     0    0.086   0.729     2.025   72.857   76.032
LGA    K    27_A      K    27_A     2.427     0    0.055   0.889     5.003   64.762   54.868
LGA    E    28_A      E    28_A     2.214     0    0.026   0.131     3.329   68.810   62.381
LGA    N    29_A      N    29_A     1.457     0    0.039   0.913     2.750   79.286   79.583
LGA    T    30_A      T    30_A     1.923     0    0.005   0.234     2.780   72.857   68.299
LGA    K    31_A      K    31_A     2.007     0    0.020   1.095     8.604   70.833   47.090
LGA    E    32_A      E    32_A     1.149     0    0.042   1.061     4.120   85.952   70.847
LGA    G    33_A      G    33_A     0.740     0    0.009   0.009     0.880   90.476   90.476
LGA    L    34_A      L    34_A     0.761     0    0.028   0.097     1.289   90.476   85.952
LGA    A    35_A      A    35_A     0.676     0    0.021   0.036     0.898   90.476   90.476
LGA    E    36_A      E    36_A     0.630     0    0.032   0.169     1.513   95.238   87.619
LGA    L    37_A      L    37_A     0.124     0    0.034   0.119     0.356  100.000  100.000
LGA    Y    38_A      Y    38_A     0.234     0    0.025   0.114     1.111   97.619   94.484
LGA    E    39_A      E    39_A     0.617     0    0.027   0.909     3.289   92.857   83.122
LGA    Y    40_A      Y    40_A     0.584     0    0.054   0.137     0.926   90.476   90.476
LGA    K    41_A      K    41_A     0.727     0    0.044   0.531     1.256   90.476   88.466
LGA    K    42_A      K    42_A     0.897     0    0.043   0.592     2.650   83.810   83.810
LGA    K    43_A      K    43_A     1.607     0    0.056   0.982     3.224   72.976   66.931
LGA    Y    44_A      Y    44_A     1.971     0    0.352   0.444     3.515   70.833   60.040
LGA    S    45_A      S    45_A     1.910     0    0.293   0.545     2.840   66.905   68.889
LGA    D    46_A      D    46_A     5.592     0    0.548   0.965    10.675   36.310   18.810
LGA    A    47_A      A    47_A     4.250     0    0.536   0.567     5.299   45.595   41.714
LGA    D    48_A      D    48_A     1.373     0    0.607   1.142     7.298   88.214   56.131
LGA    I    49_A      I    49_A     0.794     0    0.155   1.204     2.689   83.690   75.536
LGA    E    50_A      E    50_A     1.350     0    0.059   1.186     2.873   81.429   76.825
LGA    P    51_A      P    51_A     1.859     0    0.036   0.064     1.999   72.857   72.857
LGA    F    52_A      F    52_A     1.696     0    0.043   1.498     5.519   72.857   63.377
LGA    L    53_A      L    53_A     1.066     0    0.054   0.691     2.668   83.690   78.452
LGA    K    54_A      K    54_A     0.835     0    0.030   0.962     4.537   85.952   70.265
LGA    N    55_A      N    55_A     2.684     0    0.212   0.284     3.795   61.071   54.702
LGA    S    56_A      S    56_A     2.545     0    0.059   0.576     3.218   59.048   58.492
LGA    S    57_A      S    57_A     2.962     0    0.025   0.715     4.911   57.143   52.857
LGA    Q    58_A      Q    58_A     3.490     0    0.018   0.336     5.526   50.000   38.677
LGA    F    59_A      F    59_A     3.284     0    0.022   0.066     4.764   53.571   45.541
LGA    F    60_A      F    60_A     1.496     0    0.136   0.261     2.062   77.262   81.645
LGA    Q    61_A      Q    61_A     1.099     0    0.099   0.990     5.102   81.429   64.550
LGA    S    62_A      S    62_A     1.701     0    0.033   0.056     2.159   75.000   72.937
LGA    Y    63_A      Y    63_A     1.324     0    0.038   0.198     2.305   81.429   75.119
LGA    V    64_A      V    64_A     0.313     0    0.045   1.042     2.127   97.619   89.728
LGA    E    65_A      E    65_A     1.121     0    0.028   0.945     5.423   83.690   64.868
LGA    R    66_A      R    66_A     1.377     0    0.023   0.965     4.779   81.429   71.602
LGA    G    67_A      G    67_A     0.804     0    0.090   0.090     0.893   95.238   95.238
LGA    L    68_A      L    68_A     0.191     0    0.045   0.075     0.858   97.619   97.619
LGA    R    69_A      R    69_A     0.964     0    0.026   1.371     7.057   88.214   64.329
LGA    V    70_A      V    70_A     0.404     0    0.085   1.129     2.841   95.238   85.918
LGA    I    71_A      I    71_A     0.755     0    0.040   0.637     1.870   88.333   87.262
LGA    E    72_A      E    72_A     1.695     0    0.068   0.320     3.101   72.976   65.979
LGA    M    73_A      M    73_A     1.684     0    0.026   0.883     4.239   72.857   62.917
LGA    E    74_A      E    74_A     1.637     0    0.048   0.201     1.637   72.857   76.667
LGA    R    75_A      R    75_A     1.411     0    0.031   1.177     3.752   75.000   72.121
LGA    E    76_A      E    76_A     2.390     0    0.021   0.806     4.749   59.405   52.963
LGA    G    77_A      G    77_A     3.886     0    0.155   0.155     3.886   53.810   53.810
LGA    K    78_A      K    78_A     4.413     0    0.425   0.724    12.128   34.048   18.413
LGA    G    79_A      G    79_A     9.819     0    0.034   0.034    12.847    1.905    1.905
LGA    R    80_A      R    80_A    11.830     0    0.268   1.221    16.669    0.000    0.000
LGA    I    81_A      I    81_A    10.440     0    0.214   0.334    10.949    0.000    0.833
LGA    S    82_A      S    82_A    10.446     0    0.131   0.182    14.251    0.119    1.825
LGA    T    83_A      T    83_A    15.409     0    0.526   1.141    19.467    0.000    0.000
LGA    S    84_A      S    84_A    13.626     0    0.088   0.124    16.387    0.000    0.000
LGA    T    85_A      T    85_A    11.551     0    0.630   0.596    13.446    0.000    0.000
LGA    G    86_A      G    86_A    14.089     0    0.178   0.178    14.143    0.000    0.000
LGA    I    87_A      I    87_A    14.251     0    0.232   0.705    15.502    0.000    0.000
LGA    S    88_A      S    88_A    15.294     0    0.172   0.418    17.362    0.000    0.000
LGA    P    89_A      P    89_A    14.257     0    0.047   0.410    16.290    0.000    0.000
LGA    Q    90_A      Q    90_A    13.222     0    0.099   1.166    13.599    0.000    0.000
LGA    M    91_A      M    91_A    13.133     0    0.516   0.668    18.148    0.000    0.000
LGA    E    92_A      E    92_A     8.199     0    0.443   0.472     9.696    2.143    7.725
LGA    V    93_A      V    93_A    10.146     0    0.270   1.006    13.744    0.357    1.497
LGA    T    94_A      T    94_A    16.920     0    0.258   1.155    19.132    0.000    0.000
LGA    C    95_A      C    95_A    22.537     0    0.549   0.982    24.560    0.000    0.000
LGA    V    96_A      V    96_A    27.877     0    0.110   1.287    32.237    0.000    0.000
LGA    P    97_A      P    97_A    28.595     0    0.060   0.408    33.404    0.000    0.000
LGA    T    98_A      T    98_A    33.922     0    0.082   0.406    36.631    0.000    0.000
LGA    P    99_A      P    99_A    34.591     0    0.097   0.122    38.113    0.000    0.000
LGA    T   100_A      T   100_A    34.255     0    0.393   0.497    36.567    0.000    0.000
LGA    S   101_A      S   101_A    36.421     0    0.522   0.818    38.722    0.000    0.000
LGA    T   102_A      T   102_A    30.180     0    0.574   0.480    32.185    0.000    0.000
LGA    V   103_A      V   103_A    27.535     0    0.557   0.557    28.892    0.000    0.000
LGA    S   104_A      S   104_A    26.539     0    0.215   0.679    28.908    0.000    0.000
LGA    S   105_A      S   105_A    25.032     0    0.324   0.840    26.183    0.000    0.000
LGA    I   106_A      I   106_A    28.036     0    0.282   0.250    32.975    0.000    0.000
LGA    G   107_A      G   107_A    25.941     0    0.555   0.555    26.690    0.000    0.000
LGA    N   108_A      N   108_A    25.280     0    0.246   0.555    26.739    0.000    0.000
LGA    T   109_A      T   109_A    25.706     0    0.259   0.301    28.841    0.000    0.000
LGA    N   110_A      N   110_A    25.007     0    0.182   0.169    25.666    0.000    0.000
LGA    G   111_A      G   111_A    26.586     0    0.085   0.085    27.185    0.000    0.000
LGA    E   112_A      E   112_A    27.149     0    0.311   1.128    27.535    0.000    0.000
LGA    E   113_A      E   113_A    29.894     0    0.438   1.074    33.851    0.000    0.000
LGA    V   114_A      V   114_A    34.042     0    0.088   1.026    37.597    0.000    0.000
LGA    G   115_A      G   115_A    35.529     0    0.580   0.580    37.074    0.000    0.000
LGA    P   116_A      P   116_A    40.738     0    0.024   0.042    43.063    0.000    0.000
LGA    S   117_A      S   117_A    42.834     0    0.040   0.584    43.141    0.000    0.000
LGA    V   118_A      V   118_A    37.261     0    0.054   0.913    38.805    0.000    0.000
LGA    Y   119_A      Y   119_A    37.762     0    0.021   1.359    40.489    0.000    0.000
LGA    L   120_A      L   120_A    44.865     0    0.022   0.063    49.181    0.000    0.000
LGA    E   121_A      E   121_A    44.618     0    0.031   0.926    45.814    0.000    0.000
LGA    R   122_A      R   122_A    39.376     0    0.027   1.258    40.807    0.000    0.000
LGA    L   123_A      L   123_A    42.049     0    0.014   0.222    45.215    0.000    0.000
LGA    K   124_A      K   124_A    48.982     0    0.044   0.948    58.431    0.000    0.000
LGA    I   125_A      I   125_A    47.057     0    0.011   0.048    47.356    0.000    0.000
LGA    L   126_A      L   126_A    43.126     0    0.050   0.152    45.762    0.000    0.000
LGA    R   127_A      R   127_A    48.706     0    0.049   1.077    55.315    0.000    0.000
LGA    Q   128_A      Q   128_A    54.206     0    0.058   0.893    56.628    0.000    0.000
LGA    R   129_A      R   129_A    50.901     0    0.094   1.053    52.095    0.000    0.000
LGA    C   130_A      C   130_A    50.315     0    0.234   0.217    53.377    0.000    0.000
LGA    G   131_A      G   131_A    57.667     0    0.672   0.672    58.695    0.000    0.000
LGA    L   132_A      L   132_A    59.434     0    0.399   0.546    60.812    0.000    0.000
LGA    D   133_A      D   133_A    63.524     0    0.508   1.142    66.498    0.000    0.000
LGA    N   134_A      N   134_A    66.397     0    0.354   1.251    69.274    0.000    0.000
LGA    T   135_A      T   135_A    73.553     0    0.544   0.573    76.798    0.000    0.000
LGA    K   136_A      K   136_A    77.185     0    0.362   1.099    80.461    0.000    0.000
LGA    Q   137_A      Q   137_A    80.252     0    0.482   0.559    82.974    0.000    0.000
LGA    D   138_A      D   138_A    82.994     0    0.540   0.451    86.429    0.000    0.000
LGA    D   139_A      D   139_A    88.713     0    0.100   0.600    94.516    0.000    0.000
LGA    R   140_A      R   140_A    88.230     0    0.312   1.567    95.365    0.000    0.000
LGA    P   141_A      P   141_A    86.730     0    0.168   0.508    87.093    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):    16.901         16.720                 17.385           36.594   33.723

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     66    1.90    41.667    39.668     3.299

LGA_LOCAL      RMSD:   1.901  Number of atoms:   66  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  28.672  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  16.901  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.835707 * X  +  -0.548244 * Y  +   0.031973 * Z  +  -3.848776
  Y_new =   0.431497 * X  +   0.691530 * Y  +   0.579307 * Z  +  -2.288849
  Z_new =  -0.339713 * X  +  -0.470335 * Y  +   0.814482 * Z  +  -0.180673 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.476623  0.346611 -0.523685   [DEG:   27.3085   19.8594  -30.0049 ]
ZXZ:  3.086456  0.618961 -2.516071   [DEG:  176.8409   35.4638 -144.1602 ]
 
# END of job
