
#######################################################
#                                                     #
#                        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  140 ( 1105),  selected  140 , name one
# Molecule2: number of CA atoms  141 ( 1112),  selected  140 , 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:    92       1_A - 92_A        4.88    30.66
  LONGEST_CONTINUOUS_SEGMENT:    92       2_A - 93_A        4.96    30.50
  LCS_AVERAGE:     50.24

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      15_A - 76_A        1.99    32.67
  LCS_AVERAGE:     26.81

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      10_A - 42_A        0.98    32.38
  LONGEST_CONTINUOUS_SEGMENT:    33      11_A - 43_A        0.95    32.40
  LONGEST_CONTINUOUS_SEGMENT:    33      12_A - 44_A        0.99    32.34
  LCS_AVERAGE:     12.34

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  140
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     A     1_A     A     1_A      4    4   92      2    3    4    4    4   24   30   42   48   55   61   66   75   77   81   84   86   88   90   91 
LCS_GDT     S     2_A     S     2_A      4    5   92      4    4   10   15   20   31   41   45   49   58   68   71   77   79   81   84   86   88   90   91 
LCS_GDT     R     3_A     R     3_A      4    5   92      3    4    7    9   13   21   32   43   48   52   59   67   76   79   80   84   85   88   90   91 
LCS_GDT     I     4_A     I     4_A      4    5   92      3    4    4    9   11   12   20   29   39   48   53   61   71   77   80   82   85   87   89   90 
LCS_GDT     D     5_A     D     5_A      4    5   92      3    4    7   19   27   31   40   50   60   66   70   74   77   80   81   84   86   88   90   91 
LCS_GDT     E     6_A     E     6_A      4    5   92      3    4    5    5    6    8   11   21   38   43   60   70   77   79   81   83   85   87   90   91 
LCS_GDT     K     7_A     K     7_A      3   42   92      3    3    5    9   19   36   47   52   56   63   70   74   77   80   81   83   86   88   90   91 
LCS_GDT     S     8_A     S     8_A     30   43   92      3   16   31   36   41   46   50   58   64   68   73   75   77   80   81   83   85   87   90   91 
LCS_GDT     S     9_A     S     9_A     30   43   92      3   11   18   35   40   46   50   59   64   69   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     K    10_A     K    10_A     33   43   92      7   18   31   36   43   48   56   62   66   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     A    11_A     A    11_A     33   43   92      8   27   32   40   45   55   60   64   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     K    12_A     K    12_A     33   43   92      7   25   32   41   52   58   62   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     V    13_A     V    13_A     33   43   92      8   27   33   42   52   58   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     N    14_A     N    14_A     33   43   92      8   27   33   42   52   58   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     D    15_A     D    15_A     33   62   92      9   27   33   45   53   58   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     F    16_A     F    16_A     33   62   92      8   27   35   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     L    17_A     L    17_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     A    18_A     A    18_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     E    19_A     E    19_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     I    20_A     I    20_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     F    21_A     F    21_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     K    22_A     K    22_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     K    23_A     K    23_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     I    24_A     I    24_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     G    25_A     G    25_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     S    26_A     S    26_A     33   62   92     12   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     K    27_A     K    27_A     33   62   92     10   28   33   46   54   58   63   65   68   70   73   75   77   80   81   83   86   88   90   91 
LCS_GDT     E    28_A     E    28_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     N    29_A     N    29_A     33   62   92     12   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     T    30_A     T    30_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     K    31_A     K    31_A     33   62   92     12   28   33   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     E    32_A     E    32_A     33   62   92     12   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     G    33_A     G    33_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     L    34_A     L    34_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     A    35_A     A    35_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     E    36_A     E    36_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     L    37_A     L    37_A     33   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     Y    38_A     Y    38_A     33   62   92     16   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     E    39_A     E    39_A     33   62   92     12   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     Y    40_A     Y    40_A     33   62   92     11   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     K    41_A     K    41_A     33   62   92     11   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     K    42_A     K    42_A     33   62   92     10   24   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     K    43_A     K    43_A     33   62   92     10   24   34   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     Y    44_A     Y    44_A     33   62   92     10   20   31   44   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     S    45_A     S    45_A     31   62   92      4   15   26   38   52   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     D    46_A     D    46_A      4   62   92      3    4    4    6   16   26   34   42   54   65   68   74   77   80   81   84   86   88   90   91 
LCS_GDT     A    47_A     A    47_A      4   62   92      3    4   17   26   39   53   60   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     D    48_A     D    48_A     22   62   92      8   24   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     I    49_A     I    49_A     22   62   92      9   24   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     E    50_A     E    50_A     22   62   92     11   24   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     P    51_A     P    51_A     22   62   92     11   22   35   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     F    52_A     F    52_A     22   62   92     11   24   35   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     L    53_A     L    53_A     22   62   92     11   24   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     K    54_A     K    54_A     22   62   92      8   24   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     N    55_A     N    55_A     22   62   92      6   21   35   46   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     S    56_A     S    56_A     22   62   92      7   21   35   46   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     S    57_A     S    57_A     22   62   92      7   21   34   43   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     Q    58_A     Q    58_A     22   62   92      4   13   32   43   53   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     F    59_A     F    59_A     22   62   92      3   15   33   43   53   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     F    60_A     F    60_A     22   62   92      5   21   35   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     Q    61_A     Q    61_A     22   62   92     11   24   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     S    62_A     S    62_A     22   62   92      8   24   35   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     Y    63_A     Y    63_A     22   62   92      8   24   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     V    64_A     V    64_A     22   62   92     11   24   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     E    65_A     E    65_A     22   62   92      8   24   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     R    66_A     R    66_A     22   62   92      8   24   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     G    67_A     G    67_A     22   62   92      8   24   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     L    68_A     L    68_A     22   62   92     13   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     R    69_A     R    69_A     22   62   92     17   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     V    70_A     V    70_A     20   62   92     11   28   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     I    71_A     I    71_A     20   62   92     11   24   39   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     E    72_A     E    72_A     19   62   92      6   18   35   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     M    73_A     M    73_A     19   62   92      6   18   35   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     E    74_A     E    74_A     18   62   92      7   19   35   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     R    75_A     R    75_A     18   62   92      9   19   35   49   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     E    76_A     E    76_A     18   62   92      4   16   29   43   54   59   63   65   68   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     G    77_A     G    77_A     18   51   92      4   15   23   42   49   58   62   65   67   70   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     K    78_A     K    78_A      4   51   92      3   13   26   39   47   59   63   65   68   70   71   75   77   80   81   84   86   88   90   91 
LCS_GDT     G    79_A     G    79_A      4   48   92      3   10   22   33   42   50   57   63   66   69   71   73   77   80   81   84   86   88   90   91 
LCS_GDT     R    80_A     R    80_A      4    5   92      3    3    4    6    9    9   10   12   18   26   68   71   73   74   81   84   86   88   90   91 
LCS_GDT     I    81_A     I    81_A      4    6   92      3    3    4    6    9    9   10   11   16   26   69   72   77   80   81   84   86   88   90   91 
LCS_GDT     S    82_A     S    82_A      4    6   92      3    3    4   29   40   53   61   65   68   70   71   75   77   80   81   84   86   88   90   91 
LCS_GDT     T    83_A     T    83_A      4    6   92      3    3    4    5    6   47   55   63   66   68   71   72   76   79   81   83   86   88   90   91 
LCS_GDT     S    84_A     S    84_A      3    6   92      3    3   12   21   36   56   61   64   68   70   73   75   77   80   81   83   86   88   90   91 
LCS_GDT     T    85_A     T    85_A      5    8   92      3    5    6    7    9    9   10   58   63   69   73   75   77   80   81   83   86   88   90   91 
LCS_GDT     G    86_A     G    86_A      5    8   92      3    5    6    7    9    9   10   18   63   69   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     I    87_A     I    87_A      5    8   92      3    5    6    7    9    9   10   13   21   69   73   75   77   80   81   84   86   88   90   91 
LCS_GDT     S    88_A     S    88_A      5    8   92      3    5    6    7    9    9   23   35   49   58   70   74   77   79   81   84   86   88   90   91 
LCS_GDT     P    89_A     P    89_A      5    8   92      3    5    5    7    9    9   10   11   32   52   60   71   76   79   81   84   86   88   90   91 
LCS_GDT     Q    90_A     Q    90_A      5    8   92      1    3    6    7    9    9   25   43   49   58   69   74   77   79   81   84   86   88   90   91 
LCS_GDT     M    91_A     M    91_A      5    8   92      2    4    6    7    9    9   13   21   28   56   60   70   73   78   80   84   85   88   90   91 
LCS_GDT     E    92_A     E    92_A      5    8   92      4    4    5    7   11   21   33   46   57   64   69   74   77   79   81   84   85   88   90   91 
LCS_GDT     V    93_A     V    93_A      4    5   92      4    4    4    5    5   14   22   37   50   60   68   73   77   79   80   83   85   87   88   90 
LCS_GDT     T    94_A     T    94_A      4    5   87      4    4    4    5    5    5    7    9    9   32   46   56   67   72   77   78   81   82   84   85 
LCS_GDT     C    95_A     C    95_A      4    8   15      4    4    4    6    7    8    8    9    9   10   11   32   40   57   65   74   77   79   80   81 
LCS_GDT     V    96_A     V    96_A      4    8   15      3    3    5    6    7    8    8    9    9   10   11   14   17   25   27   32   41   50   67   70 
LCS_GDT     P    97_A     P    97_A      5    8   15      3    4    5    6    7    8    8    9    9   10   11   14   16   18   20   21   24   42   53   64 
LCS_GDT     T    98_A     T    98_A      5    8   15      1    4    5    6    7    8    8    9    9   10   11   14   16   18   20   21   24   27   33   35 
LCS_GDT     P    99_A     P    99_A      5    8   15      3    4    5    6    7    8    8    9    9   10   13   14   16   18   20   24   25   29   33   36 
LCS_GDT     T   100_A     T   100_A      5    8   15      3    4    5    6    7    8    8    9    9   11   13   18   20   23   24   26   26   38   39   44 
LCS_GDT     S   101_A     S   101_A      5    8   16      3    4    5    6    7    8    8    9   11   13   18   20   22   23   24   26   26   38   39   44 
LCS_GDT     T   102_A     T   102_A      4   10   17      3    3    4    6    9   10   10   11   13   13   14   15   17   19   24   26   26   26   27   34 
LCS_GDT     V   103_A     V   103_A      8   10   17      5    8    8    8    9   10   11   11   13   16   18   20   22   23   24   30   34   38   39   44 
LCS_GDT     S   104_A     S   104_A      8   10   17      5    8    8    8    9   10   11   12   13   16   18   20   22   23   24   30   34   38   39   44 
LCS_GDT     S   105_A     S   105_A      8   10   17      4    8    8    8    9   10   11   12   13   16   18   20   22   23   24   30   34   38   39   44 
LCS_GDT     I   106_A     I   106_A      8   10   17      5    8    8    8    9   10   11   12   13   16   18   20   22   23   27   30   34   38   39   44 
LCS_GDT     G   107_A     G   107_A      8   10   27      5    8    8    8    9   10   11   12   13   16   18   20   24   29   30   40   42   43   50   51 
LCS_GDT     N   108_A     N   108_A      8   10   32      5    8    8    8    9   10   11   14   20   25   28   37   40   42   44   47   49   51   51   51 
LCS_GDT     T   109_A     T   109_A      8   10   32      5    8    8    8   14   14   18   19   21   22   28   29   32   35   35   42   46   51   51   51 
LCS_GDT     N   110_A     N   110_A      8   10   32      4    8    8    8    9   10   13   18   20   21   22   23   23   24   28   31   32   39   41   45 
LCS_GDT     G   111_A     G   111_A      4   10   32      3    4    6    8    9   10   11   12   13   17   20   21   22   23   24   30   34   38   40   45 
LCS_GDT     E   112_A     E   112_A      4    9   32      3    4    6    8    9   10   11   12   17   21   22   23   27   35   39   47   49   51   51   51 
LCS_GDT     E   113_A     E   113_A      4    8   32      3    4    5    7   11   14   20   22   27   28   28   32   37   42   44   47   49   51   51   51 
LCS_GDT     V   114_A     V   114_A      4   22   32      3    4    7   11   14   14   21   26   27   31   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     G   115_A     G   115_A     17   25   32      9   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     P   116_A     P   116_A     17   25   32      9   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     S   117_A     S   117_A     17   25   32      9   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     V   118_A     V   118_A     17   25   32      9   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     Y   119_A     Y   119_A     17   25   32      9   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     L   120_A     L   120_A     17   25   32      9   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     E   121_A     E   121_A     17   25   32      9   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     R   122_A     R   122_A     17   25   32      8   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     L   123_A     L   123_A     17   25   32      8   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     K   124_A     K   124_A     17   25   32      8   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     I   125_A     I   125_A     17   25   32      9   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     L   126_A     L   126_A     17   25   32      8   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     R   127_A     R   127_A     17   25   32      8   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     Q   128_A     Q   128_A     17   25   32      8   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     R   129_A     R   129_A     17   25   32      9   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     C   130_A     C   130_A     17   25   32      9   16   18   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     G   131_A     G   131_A     17   25   32      6   15   18   20   21   23   26   28   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     L   132_A     L   132_A      4   25   32      4    4    6   14   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     D   133_A     D   133_A      4   25   32      4    4   17   20   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     N   134_A     N   134_A      4   25   32      4    4    5   16   21   23   24   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     T   135_A     T   135_A      5   25   32      4    5   16   19   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     K   136_A     K   136_A      5   25   32      3    3    6   11   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     Q   137_A     Q   137_A      5   25   32      3    3    5    6   11   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     D   138_A     D   138_A      5   25   32      3    3    6   13   21   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     D   139_A     D   139_A      5   25   32      3    3    6    8   18   23   26   29   30   33   37   38   41   42   44   47   49   51   51   51 
LCS_GDT     R   140_A     R   140_A      3    4   32      3   11   16   19   21   23   25   26   27   29   32   36   37   41   44   47   49   51   51   51 
LCS_AVERAGE  LCS_A:  29.80  (  12.34   26.81   50.24 )

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     17     28     39     49     54     59     63     65     68     70     73     75     77     80     81     84     86     88     90     91 
GDT PERCENT_AT  12.06  19.86  27.66  34.75  38.30  41.84  44.68  46.10  48.23  49.65  51.77  53.19  54.61  56.74  57.45  59.57  60.99  62.41  63.83  64.54
GDT RMS_LOCAL    0.32   0.61   1.06   1.31   1.45   1.70   1.88   2.00   2.22   2.37   2.68   2.83   3.00   3.39   3.52   4.33   4.25   4.58   4.64   4.75
GDT RMS_ALL_AT  32.99  32.86  33.27  32.80  32.89  32.79  32.79  32.58  32.98  32.83  32.49  32.57  32.52  32.29  32.04  30.42  31.37  30.76  30.94  30.75

# Checking swapping
#   possible swapping detected:  E     6_A      E     6_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:  E    50_A      E    50_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  E    76_A      E    76_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    12.914     0    0.179   0.233    13.681    0.000    0.000
LGA    S     2_A      S     2_A    12.814     0    0.215   0.708    15.858    0.000    0.000
LGA    R     3_A      R     3_A    15.989     0    0.556   0.976    16.795    0.000    0.000
LGA    I     4_A      I     4_A    18.223     0    0.545   0.685    23.073    0.000    0.000
LGA    D     5_A      D     5_A    11.518     0    0.675   0.875    13.744    0.000    2.202
LGA    E     6_A      E     6_A    13.952     0    0.467   1.210    20.836    0.000    0.000
LGA    K     7_A      K     7_A    10.806     0    0.599   0.496    11.995    0.000    0.000
LGA    S     8_A      S     8_A     8.234     0    0.600   0.561     8.783    8.690   11.825
LGA    S     9_A      S     9_A     7.863     0    0.047   0.605     9.103   10.595    8.492
LGA    K    10_A      K    10_A     6.552     0    0.110   0.948    12.945   16.548    8.624
LGA    A    11_A      A    11_A     5.309     0    0.018   0.025     5.854   29.048   28.476
LGA    K    12_A      K    12_A     4.316     0    0.012   0.071     6.054   37.262   30.741
LGA    V    13_A      V    13_A     3.744     0    0.069   0.757     5.155   46.905   40.340
LGA    N    14_A      N    14_A     3.465     0    0.042   0.928     5.049   50.119   42.262
LGA    D    15_A      D    15_A     2.747     0    0.027   1.007     4.566   61.190   51.012
LGA    F    16_A      F    16_A     1.703     0    0.030   1.106     4.791   75.119   60.519
LGA    L    17_A      L    17_A     1.378     0    0.053   1.382     2.954   79.286   74.167
LGA    A    18_A      A    18_A     1.788     0    0.032   0.034     2.104   72.857   71.238
LGA    E    19_A      E    19_A     1.080     0    0.041   0.840     3.069   83.690   79.048
LGA    I    20_A      I    20_A     0.634     0    0.024   0.036     1.100   88.214   92.917
LGA    F    21_A      F    21_A     1.569     0    0.023   0.219     2.084   72.976   75.238
LGA    K    22_A      K    22_A     2.116     0    0.028   0.665     4.687   66.786   57.196
LGA    K    23_A      K    23_A     1.730     0    0.031   0.816     1.996   72.857   74.762
LGA    I    24_A      I    24_A     1.423     0    0.027   0.047     1.904   77.143   81.548
LGA    G    25_A      G    25_A     1.984     0    0.145   0.145     2.917   66.905   66.905
LGA    S    26_A      S    26_A     2.332     0    0.167   0.251     2.660   64.762   63.492
LGA    K    27_A      K    27_A     2.906     0    0.069   0.889     5.645   57.143   47.196
LGA    E    28_A      E    28_A     2.457     0    0.039   0.719     5.109   62.857   53.228
LGA    N    29_A      N    29_A     1.372     0    0.038   1.030     2.608   79.286   79.583
LGA    T    30_A      T    30_A     2.086     0    0.026   0.819     4.399   66.786   59.864
LGA    K    31_A      K    31_A     2.440     0    0.022   1.092     9.213   64.762   41.905
LGA    E    32_A      E    32_A     1.459     0    0.020   1.059     3.670   79.286   69.101
LGA    G    33_A      G    33_A     0.714     0    0.039   0.039     0.955   90.476   90.476
LGA    L    34_A      L    34_A     0.901     0    0.026   0.066     1.425   90.476   85.952
LGA    A    35_A      A    35_A     0.918     0    0.034   0.045     1.160   90.476   88.667
LGA    E    36_A      E    36_A     0.817     0    0.021   0.166     1.925   90.476   82.593
LGA    L    37_A      L    37_A     0.325     0    0.035   0.115     0.614  100.000   98.810
LGA    Y    38_A      Y    38_A     0.169     0    0.023   0.129     0.884  100.000   97.619
LGA    E    39_A      E    39_A     0.577     0    0.031   0.129     1.162   90.595   88.519
LGA    Y    40_A      Y    40_A     0.856     0    0.035   0.145     2.214   88.214   80.913
LGA    K    41_A      K    41_A     0.836     0    0.032   0.652     2.600   88.214   84.762
LGA    K    42_A      K    42_A     1.072     0    0.039   0.582     2.338   81.548   82.646
LGA    K    43_A      K    43_A     1.978     0    0.072   0.977     3.682   63.214   60.847
LGA    Y    44_A      Y    44_A     2.848     0    0.350   0.441     4.266   57.262   49.762
LGA    S    45_A      S    45_A     3.489     0    0.358   0.496     4.342   45.119   44.603
LGA    D    46_A      D    46_A     6.730     0    0.592   1.181    11.835   23.095   11.726
LGA    A    47_A      A    47_A     5.250     0    0.535   0.574     6.204   36.429   32.571
LGA    D    48_A      D    48_A     1.040     0    0.592   1.231     5.536   83.810   59.405
LGA    I    49_A      I    49_A     0.582     0    0.123   1.245     2.634   88.214   78.036
LGA    E    50_A      E    50_A     0.995     0    0.043   1.272     3.776   85.952   73.704
LGA    P    51_A      P    51_A     1.787     0    0.037   0.064     1.977   72.857   72.857
LGA    F    52_A      F    52_A     1.730     0    0.012   1.140     4.279   72.857   64.416
LGA    L    53_A      L    53_A     1.086     0    0.032   0.703     2.685   81.429   79.524
LGA    K    54_A      K    54_A     1.043     0    0.040   0.969     3.797   79.286   71.111
LGA    N    55_A      N    55_A     2.393     0    0.197   0.209     2.992   64.881   61.012
LGA    S    56_A      S    56_A     2.401     0    0.069   0.598     2.723   60.952   65.000
LGA    S    57_A      S    57_A     2.825     0    0.045   0.703     4.956   57.143   52.857
LGA    Q    58_A      Q    58_A     3.409     0    0.045   1.229     9.347   50.000   31.323
LGA    F    59_A      F    59_A     3.238     0    0.010   1.405     3.332   53.571   58.831
LGA    F    60_A      F    60_A     1.524     0    0.132   0.249     2.108   75.119   81.645
LGA    Q    61_A      Q    61_A     1.231     0    0.083   1.000     5.111   81.429   64.233
LGA    S    62_A      S    62_A     1.787     0    0.015   0.056     2.144   72.857   71.508
LGA    Y    63_A      Y    63_A     1.384     0    0.032   0.173     2.315   81.429   75.833
LGA    V    64_A      V    64_A     0.455     0    0.034   1.052     2.274   92.857   87.007
LGA    E    65_A      E    65_A     1.275     0    0.023   0.940     5.610   83.690   62.804
LGA    R    66_A      R    66_A     1.520     0    0.053   0.990     4.970   79.286   68.701
LGA    G    67_A      G    67_A     0.901     0    0.060   0.060     1.041   88.214   88.214
LGA    L    68_A      L    68_A     0.154     0    0.042   0.060     0.663   97.619   97.619
LGA    R    69_A      R    69_A     1.000     0    0.027   1.371     6.807   88.214   66.407
LGA    V    70_A      V    70_A     0.471     0    0.083   1.107     2.939   95.238   85.918
LGA    I    71_A      I    71_A     0.679     0    0.035   0.657     1.885   88.333   87.262
LGA    E    72_A      E    72_A     1.636     0    0.050   0.420     3.326   72.976   65.132
LGA    M    73_A      M    73_A     1.553     0    0.035   0.988     2.855   72.857   71.071
LGA    E    74_A      E    74_A     1.493     0    0.039   0.621     1.738   77.143   75.714
LGA    R    75_A      R    75_A     1.322     0    0.078   1.138     3.273   77.143   75.065
LGA    E    76_A      E    76_A     2.431     0    0.084   1.170     4.742   57.738   51.429
LGA    G    77_A      G    77_A     3.761     0    0.438   0.438     3.761   51.905   51.905
LGA    K    78_A      K    78_A     4.491     0    0.428   1.026     9.639   42.143   21.164
LGA    G    79_A      G    79_A     6.466     0    0.610   0.610     8.925   11.786   11.786
LGA    R    80_A      R    80_A     8.799     0    0.597   1.274    19.845    8.214    2.987
LGA    I    81_A      I    81_A     6.539     0    0.493   1.033    12.143   24.762   15.298
LGA    S    82_A      S    82_A     5.057     0    0.638   0.773     8.284   18.571   18.810
LGA    T    83_A      T    83_A     6.767     0    0.568   0.492     9.367   23.095   14.626
LGA    S    84_A      S    84_A     5.027     0    0.706   0.598     6.697   23.095   23.333
LGA    T    85_A      T    85_A     7.440     0    0.597   0.588     9.087   11.071    8.367
LGA    G    86_A      G    86_A     8.167     0    0.296   0.296     8.167    7.976    7.976
LGA    I    87_A      I    87_A     7.728     0    0.183   0.626     8.900    5.000    7.024
LGA    S    88_A      S    88_A    11.311     0    0.061   0.435    15.723    0.833    0.556
LGA    P    89_A      P    89_A    11.925     0    0.117   0.421    14.084    0.000    0.000
LGA    Q    90_A      Q    90_A    13.615     0    0.229   1.224    14.381    0.000    0.000
LGA    M    91_A      M    91_A    16.362     0    0.507   0.784    21.214    0.000    0.000
LGA    E    92_A      E    92_A    16.578     0    0.355   0.449    17.624    0.000    0.000
LGA    V    93_A      V    93_A    20.331     0    0.073   1.000    23.850    0.000    0.000
LGA    T    94_A      T    94_A    27.073     0    0.142   1.135    30.011    0.000    0.000
LGA    C    95_A      C    95_A    31.599     0    0.601   0.533    32.925    0.000    0.000
LGA    V    96_A      V    96_A    36.422     0    0.153   1.059    39.350    0.000    0.000
LGA    P    97_A      P    97_A    39.145     0    0.251   0.406    41.960    0.000    0.000
LGA    T    98_A      T    98_A    45.216     0    0.291   1.316    47.949    0.000    0.000
LGA    P    99_A      P    99_A    48.033     0    0.055   0.250    51.608    0.000    0.000
LGA    T   100_A      T   100_A    51.290     0    0.218   0.516    51.578    0.000    0.000
LGA    S   101_A      S   101_A    53.951     0    0.600   0.841    55.749    0.000    0.000
LGA    T   102_A      T   102_A    52.166     0    0.594   0.920    53.774    0.000    0.000
LGA    V   103_A      V   103_A    50.086     0    0.597   0.567    51.214    0.000    0.000
LGA    S   104_A      S   104_A    52.266     0    0.137   0.754    55.327    0.000    0.000
LGA    S   105_A      S   105_A    51.123     0    0.014   0.689    52.577    0.000    0.000
LGA    I   106_A      I   106_A    51.810     0    0.096   1.099    52.891    0.000    0.000
LGA    G   107_A      G   107_A    49.886     0    0.163   0.163    51.048    0.000    0.000
LGA    N   108_A      N   108_A    49.130     0    0.108   0.229    50.959    0.000    0.000
LGA    T   109_A      T   109_A    47.046     0    0.120   1.097    48.467    0.000    0.000
LGA    N   110_A      N   110_A    46.968     0    0.342   0.689    48.301    0.000    0.000
LGA    G   111_A      G   111_A    43.264     0    0.324   0.324    44.308    0.000    0.000
LGA    E   112_A      E   112_A    40.778     0    0.359   1.099    43.646    0.000    0.000
LGA    E   113_A      E   113_A    37.194     0    0.441   1.146    38.547    0.000    0.000
LGA    V   114_A      V   114_A    39.293     0    0.108   0.994    42.736    0.000    0.000
LGA    G   115_A      G   115_A    37.253     0    0.587   0.587    38.950    0.000    0.000
LGA    P   116_A      P   116_A    40.271     0    0.042   0.091    42.885    0.000    0.000
LGA    S   117_A      S   117_A    45.732     0    0.051   0.572    47.048    0.000    0.000
LGA    V   118_A      V   118_A    43.205     0    0.046   0.900    43.798    0.000    0.000
LGA    Y   119_A      Y   119_A    41.134     0    0.022   1.395    44.062    0.000    0.000
LGA    L   120_A      L   120_A    47.355     0    0.022   0.076    50.078    0.000    0.000
LGA    E   121_A      E   121_A    50.220     0    0.028   0.942    53.452    0.000    0.000
LGA    R   122_A      R   122_A    45.883     0    0.031   1.300    46.923    0.000    0.000
LGA    L   123_A      L   123_A    46.106     0    0.016   0.999    49.380    0.000    0.000
LGA    K   124_A      K   124_A    53.339     0    0.043   0.933    63.188    0.000    0.000
LGA    I   125_A      I   125_A    53.484     0    0.010   0.042    54.195    0.000    0.000
LGA    L   126_A      L   126_A    48.692     0    0.051   1.341    50.676    0.000    0.000
LGA    R   127_A      R   127_A    52.796     0    0.037   0.919    60.219    0.000    0.000
LGA    Q   128_A      Q   128_A    59.059     0    0.072   0.970    62.641    0.000    0.000
LGA    R   129_A      R   129_A    56.330     0    0.094   1.088    56.871    0.000    0.000
LGA    C   130_A      C   130_A    54.728     0    0.188   0.179    57.344    0.000    0.000
LGA    G   131_A      G   131_A    61.560     0    0.681   0.681    61.935    0.000    0.000
LGA    L   132_A      L   132_A    62.429     0    0.596   0.610    64.021    0.000    0.000
LGA    D   133_A      D   133_A    66.068     0    0.243   0.958    70.097    0.000    0.000
LGA    N   134_A      N   134_A    70.026     0    0.110   1.089    74.245    0.000    0.000
LGA    T   135_A      T   135_A    73.238     0    0.102   1.082    75.370    0.000    0.000
LGA    K   136_A      K   136_A    79.685     0    0.279   1.143    82.387    0.000    0.000
LGA    Q   137_A      Q   137_A    86.851     0    0.243   0.819    91.773    0.000    0.000
LGA    D   138_A      D   138_A    90.133     0    0.621   0.688    92.251    0.000    0.000
LGA    D   139_A      D   139_A    96.496     0    0.118   1.207   101.117    0.000    0.000
LGA    R   140_A      R   140_A    97.737     0    0.384   1.596   105.482    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      140     560    560  100.00    1105   1105  100.00               141
SUMMARY(RMSD_GDC):    20.580         20.468                 21.140           36.087   33.190

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  141    4.0     65    2.00    40.071    38.354     3.099

LGA_LOCAL      RMSD:   1.997  Number of atoms:   65  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  32.585  Number of assigned atoms:  140 
Std_ASGN_ATOMS RMSD:  20.580  Standard rmsd on all 140 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.275802 * X  +  -0.173155 * Y  +  -0.945490 * Z  +   1.424650
  Y_new =   0.167700 * X  +   0.977223 * Y  +  -0.130048 * Z  +   8.130639
  Z_new =   0.946472 * X  +  -0.122692 * Y  +   0.298558 * Z  +  -4.732402 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.546315 -1.242126 -0.389908   [DEG:   31.3015  -71.1686  -22.3401 ]
ZXZ: -1.434109  1.267615  1.699708   [DEG:  -82.1684   72.6290   97.3861 ]
 
# END of job
