
#######################################################
#                                                     #
#                        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  142 ( 1166),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1073),  selected  132 , 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      43_A - 134_A       4.66    11.85
  LCS_AVERAGE:     63.73

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37       3_A - 39_A        1.96    22.94
  LCS_AVERAGE:     17.30

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18     117_A - 134_A       0.91    12.56
  LCS_AVERAGE:      6.15

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
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     D     3_A     D     3_A      8   37   66      3   12   20   27   36   42   46   49   50   52   55   56   57   58   59   60   62   67   79   85 
LCS_GDT     V     4_A     V     4_A      9   37   66      3   13   23   30   36   42   46   49   50   52   55   56   57   58   59   60   62   67   77   85 
LCS_GDT     D     5_A     D     5_A      9   37   66      4   13   23   30   36   42   46   49   50   52   55   56   57   58   59   60   62   67   70   74 
LCS_GDT     K     6_A     K     6_A      9   37   66      4   13   23   30   36   42   46   49   50   52   55   56   57   58   59   60   62   67   71   77 
LCS_GDT     R     7_A     R     7_A      9   37   66      4   13   23   30   36   42   46   49   50   52   55   56   57   58   59   60   62   67   70   77 
LCS_GDT     K     8_A     K     8_A      9   37   66      4   12   23   30   36   42   46   49   50   52   55   56   57   58   59   60   62   67   71   81 
LCS_GDT     I     9_A     I     9_A      9   37   66      4   11   23   30   36   42   46   49   50   52   55   56   57   58   59   66   72   77   92   98 
LCS_GDT     K    10_A     K    10_A      9   37   66      4    9   23   30   36   42   46   49   50   52   55   56   57   58   59   69   77   89   95  100 
LCS_GDT     I    11_A     I    11_A      9   37   66      4   11   23   30   36   42   46   49   50   52   63   74   83   88   91   92   96   98  100  103 
LCS_GDT     I    12_A     I    12_A      9   37   66      4   11   23   30   36   42   58   62   71   78   82   86   88   89   92   95   96   98  100  103 
LCS_GDT     L    13_A     L    13_A      7   37   66      4    7   10   27   36   42   46   49   64   72   81   85   88   89   92   95   96   98  100  103 
LCS_GDT     N    14_A     N    14_A      7   37   66      4    8   11   20   34   42   46   59   70   79   83   85   88   91   92   95   96   98  100  103 
LCS_GDT     G    15_A     G    15_A      7   37   66      7   17   26   38   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     E    16_A     E    16_A      7   37   66      4   12   22   30   36   42   46   57   63   72   81   84   87   89   91   93   96   98  100  103 
LCS_GDT     M    17_A     M    17_A      8   37   66      3    7   12   27   33   38   43   47   50   52   55   62   68   79   85   90   93   96   99  103 
LCS_GDT     E    18_A     E    18_A      8   37   66      4    9   20   28   36   41   46   49   50   52   55   56   57   70   75   80   88   92   97  103 
LCS_GDT     E    19_A     E    19_A      8   37   66      4   10   23   30   36   42   46   49   50   52   55   56   57   58   62   70   77   83   95   98 
LCS_GDT     A    20_A     A    20_A      8   37   66      4   11   23   30   36   42   46   49   50   52   55   56   57   61   70   77   85   92   96  103 
LCS_GDT     E    21_A     E    21_A      8   37   66      4   13   23   30   36   42   46   49   50   52   55   56   57   58   62   70   77   84   93   98 
LCS_GDT     L    22_A     L    22_A      8   37   66      3   13   23   30   36   42   46   49   50   52   55   56   57   61   69   80   88   92   97  103 
LCS_GDT     H    23_A     H    23_A      8   37   66      3   13   23   30   36   42   46   49   50   52   55   56   57   59   66   72   82   88   95  100 
LCS_GDT     M    24_A     M    24_A      8   37   66      3   12   23   30   36   42   46   49   50   52   55   56   57   62   69   77   86   92   97  103 
LCS_GDT     I    25_A     I    25_A      6   37   66      3   12   22   30   36   42   46   49   50   52   55   56   57   62   69   77   84   92   96  103 
LCS_GDT     T    26_A     T    26_A      6   37   66      3    5   13   22   31   41   45   49   50   52   55   56   57   68   77   85   89   96   99  103 
LCS_GDT     S    27_A     S    27_A      4   37   66      3   11   23   30   36   42   46   49   50   52   55   66   76   82   88   92   96   98   99  103 
LCS_GDT     P    28_A     P    28_A      4   37   66      3    9   21   30   36   42   46   49   50   58   69   74   83   89   91   94   96   98  100  103 
LCS_GDT     N    29_A     N    29_A      3   37   66      3    3    6   17   32   38   48   57   66   78   83   86   88   91   92   95   96   98  100  103 
LCS_GDT     R    30_A     R    30_A      8   37   66      3   10   23   30   36   45   59   68   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     H    31_A     H    31_A      8   37   66      5   13   23   30   36   42   48   61   73   78   83   86   88   91   92   95   96   98  100  103 
LCS_GDT     C    32_A     C    32_A      8   37   66      4   12   23   30   36   42   46   52   63   71   80   85   87   91   92   95   96   98  100  103 
LCS_GDT     C    33_A     C    33_A      8   37   66      4   13   23   30   36   42   46   49   50   52   60   71   81   88   91   94   96   98  100  103 
LCS_GDT     L    34_A     L    34_A      8   37   66      4   11   21   30   36   42   46   49   50   52   60   73   81   88   91   94   96   98  100  103 
LCS_GDT     K    35_A     K    35_A      8   37   66      4   10   21   29   36   42   46   49   50   52   55   56   64   72   81   88   92   96   99  103 
LCS_GDT     I    36_A     I    36_A      8   37   66      3   13   22   30   36   42   46   49   50   52   55   56   64   72   82   88   92   96   99  103 
LCS_GDT     F    37_A     F    37_A      8   37   66      3   13   23   30   36   42   46   49   50   52   55   56   57   58   63   70   74   82   93   98 
LCS_GDT     H    38_A     H    38_A      8   37   66      3   13   23   30   36   42   46   49   50   52   55   56   57   58   62   69   74   79   92   98 
LCS_GDT     N    39_A     N    39_A      8   37   66      3   12   19   29   36   42   46   49   50   52   55   56   57   58   59   65   70   75   81   83 
LCS_GDT     N    40_A     N    40_A      3   11   66      3    3    4   12   17   23   40   45   50   52   55   56   57   58   59   60   62   63   65   74 
LCS_GDT     N    41_A     N    41_A      4   11   66      3    6   14   28   36   42   46   48   50   52   55   56   57   58   59   65   70   75   79   82 
LCS_GDT     Q    42_A     Q    42_A      4    9   66      3    4    6   23   32   42   46   49   50   52   55   56   57   58   59   60   70   75   79   82 
LCS_GDT     L    43_A     L    43_A      4    9   92      3    4   10   20   27   32   42   46   50   52   55   56   57   58   62   70   74   80   89   94 
LCS_GDT     A    44_A     A    44_A      4    9   92      3    4   12   23   34   41   46   49   50   52   55   56   57   62   71   79   87   93   96  103 
LCS_GDT     E    45_A     E    45_A      4    9   92      3    4   14   26   36   42   46   49   50   52   55   57   69   79   87   90   94   98   99  103 
LCS_GDT     S    46_A     S    46_A      6   10   92      4    5    9   13   27   43   55   66   75   81   83   86   88   91   92   95   96   98  100  103 
LCS_GDT     N    47_A     N    47_A      6   10   92      4   17   21   36   51   59   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     D    48_A     D    48_A      6   10   92     10   18   32   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     T    49_A     T    49_A      6   10   92      4   16   32   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  102 
LCS_GDT     D    50_A     D    50_A      6   10   92      3   19   32   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     Y    51_A     Y    51_A      6   10   92      3   14   32   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     F    52_A     F    52_A      5   10   92     10   21   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     S    53_A     S    53_A      5   10   92      4    9   28   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     C    54_A     C    54_A      3   10   92      7   17   21   36   51   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     F    55_A     F    55_A      3   10   92      5   10   25   41   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     A    56_A     A    56_A      4    4   92      3   11   23   30   36   42   48   66   72   79   84   86   88   90   92   95   96   96  100  101 
LCS_GDT     D    57_A     D    57_A      4    4   92      3   10   25   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  101 
LCS_GDT     L    58_A     L    58_A      4    4   92     10   19   32   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     R    59_A     R    59_A      4    4   92      3   13   21   42   51   59   67   74   77   81   84   86   88   91   92   95   96   98  100  101 
LCS_GDT     N    60_A     N    60_A      3    5   92      3    3    7   12   18   26   33   46   62   68   78   85   87   88   91   93   94   96   97   98 
LCS_GDT     Q    61_A     Q    61_A      4    7   92      3   10   21   35   51   57   64   72   77   81   84   86   88   91   92   95   96   98  100  101 
LCS_GDT     L    62_A     L    62_A      4    7   92      3   10   27   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  101 
LCS_GDT     K    63_A     K    63_A      4    7   92      3    4    8   13   20   32   43   56   65   74   82   86   87   89   91   93   95   96   97   99 
LCS_GDT     N    64_A     N    64_A      4    7   92      3    7   12   21   45   57   63   70   77   81   84   86   88   91   92   95   96   98  100  101 
LCS_GDT     I    65_A     I    65_A      4    7   92      3   13   26   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     I    66_A     I    66_A      4    7   92      3   11   23   39   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     F    67_A     F    67_A      4    8   92      3    9   13   20   41   58   65   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     L    68_A     L    68_A      5    8   92      3    6   13   20   28   50   61   69   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     C    69_A     C    69_A      5    8   92      5   11   13   35   51   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     K    70_A     K    70_A      5   10   92      3    4    5    7    9   21   50   69   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     G    71_A     G    71_A      5   11   92      3    4   15   27   38   53   64   73   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     A    72_A     A    72_A      8   11   92      3    5   20   37   47   55   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     K    73_A     K    73_A      8   11   92      9   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     I    74_A     I    74_A      8   11   92      9   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     N    75_A     N    75_A      8   11   92      7   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     V    76_A     V    76_A      8   11   92      9   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     Y    77_A     Y    77_A      8   11   92      9   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     P    78_A     P    78_A      8   11   92      8   19   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     S    79_A     S    79_A      8   11   92      3   19   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     A    80_A     A    80_A      8   11   92      3    9   19   31   43   57   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     M    81_A     M    81_A      3   11   92      3    3    5    9   24   41   48   56   72   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     S    82_A     S    82_A      3   10   92      3    3    6   23   33   44   59   68   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     R    83_A     R    83_A      4    7   92      3    4    7   12   24   34   63   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     D    84_A     D    84_A      4    7   92      3    3   26   41   51   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     M    85_A     M    85_A      4   11   92     10   20   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     S    86_A     S    86_A      4   11   92      3    3   21   40   51   60   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     D    87_A     D    87_A      3   13   92      3    5   11   31   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     G    88_A     G    88_A      3   13   92      3    3    4    4    7   28   44   64   72   77   83   86   88   90   92   95   96   98  100  101 
LCS_GDT     I    89_A     I    89_A      7   13   92      3    8   28   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     V    90_A     V    90_A     10   19   92     10   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     A    91_A     A    91_A     10   19   92      7   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     Y    92_A     Y    92_A     10   19   92     10   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     E    93_A     E    93_A     10   19   92     10   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     T    94_A     T    94_A     10   19   92     10   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     T    95_A     T    95_A     10   19   92      5   17   27   41   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     L    96_A     L    96_A     10   19   92      5   17   26   40   51   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     G    97_A     G    97_A     10   19   92      7   17   24   34   47   57   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     Q    98_A     Q    98_A     10   19   92      7   17   25   36   51   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     P    99_A     P    99_A     10   19   92      4   13   29   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     G   100_A     G   100_A      8   19   92      4   13   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     L   101_A     L   101_A      8   19   92      4    8   21   34   47   55   64   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     P   102_A     P   102_A      8   19   92      4    7    9   13   17   23   33   53   66   72   82   85   88   91   92   95   96   98  100  103 
LCS_GDT     E   103_A     E   103_A      8   19   92      3    7    8   12   17   26   44   58   68   72   82   85   88   91   92   95   96   98  100  103 
LCS_GDT     N   104_A     N   104_A      8   19   92      4    7   21   25   41   55   62   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     Q   105_A     Q   105_A      8   30   92      5   19   31   42   51   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     V   106_A     V   106_A      8   30   92      7   20   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     H   107_A     H   107_A      8   30   92      7   21   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     I   108_A     I   108_A      6   30   92      5   20   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     F   109_A     F   109_A      6   30   92      5   13   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     D   110_A     D   110_A      6   30   92      3   19   29   38   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     F   111_A     F   111_A      6   30   92      3   13   26   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     E   112_A     E   112_A      6   30   92      3   13   26   38   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     D   113_A     D   113_A      6   30   92      3   13   26   38   53   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     K   114_A     K   114_A      6   30   92      3    4    7   16   31   49   61   68   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     Y   115_A     Y   115_A      4   30   92      3    6    6   31   38   53   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     V   116_A     V   116_A      4   30   92      3   13   26   32   43   55   66   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     D   117_A     D   117_A     18   30   92      3   13   26   39   49   58   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     I   118_A     I   118_A     18   30   92      4    8   26   40   51   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     T   119_A     T   119_A     18   30   92      7   18   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     P   120_A     P   120_A     18   30   92     10   21   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     E   121_A     E   121_A     18   30   92     10   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     E   122_A     E   122_A     18   30   92     10   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     Q   123_A     Q   123_A     18   30   92     10   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     R   124_A     R   124_A     18   30   92      9   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     K   125_A     K   125_A     18   30   92      9   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     F   126_A     F   126_A     18   30   92      9   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     H   127_A     H   127_A     18   30   92      9   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     S   128_A     S   128_A     18   30   92      9   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     Q   129_A     Q   129_A     18   30   92      9   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     W   130_A     W   130_A     18   30   92      9   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     F   131_A     F   131_A     18   30   92      9   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     E   132_A     E   132_A     18   30   92      7   22   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     S   133_A     S   133_A     18   30   92      7   20   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_GDT     L   134_A     L   134_A     18   30   92      3   19   35   42   54   61   67   74   77   81   84   86   88   91   92   95   96   98  100  103 
LCS_AVERAGE  LCS_A:  29.06  (   6.15   17.30   63.73 )

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     10     22     35     42     54     61     67     74     77     81     84     86     88     91     92     95     96     98    100    103 
GDT PERCENT_AT   7.58  16.67  26.52  31.82  40.91  46.21  50.76  56.06  58.33  61.36  63.64  65.15  66.67  68.94  69.70  71.97  72.73  74.24  75.76  78.03
GDT RMS_LOCAL    0.37   0.66   0.98   1.25   1.65   1.84   2.06   2.33   2.43   2.62   2.79   2.95   3.17   3.44   3.44   3.71   3.82   4.26   4.43   5.81
GDT RMS_ALL_AT  12.13  12.94  12.95  12.59  12.40  12.30  12.16  12.20  12.24  12.26  12.29  12.46  11.79  11.70  11.92  11.65  11.53  11.08  11.04   9.49

# Checking swapping
#   possible swapping detected:  F    37_A      F    37_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  F    55_A      F    55_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  D    84_A      D    84_A
#   possible swapping detected:  Y    92_A      Y    92_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  Y   115_A      Y   115_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  F   126_A      F   126_A
#   possible swapping detected:  E   132_A      E   132_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A    30.327     3    0.139   0.159    30.401    0.000    0.000
LGA    V     4_A      V     4_A    29.993     0    0.252   0.938    33.713    0.000    0.000
LGA    D     5_A      D     5_A    30.609     0    0.068   1.023    31.967    0.000    0.000
LGA    K     6_A      K     6_A    29.982     0    0.092   1.238    36.329    0.000    0.000
LGA    R     7_A      R     7_A    28.188     0    0.146   1.578    28.808    0.000    0.000
LGA    K     8_A      K     8_A    27.361     0    0.117   0.970    35.600    0.000    0.000
LGA    I     9_A      I     9_A    22.045     0    0.105   1.383    23.800    0.000    0.000
LGA    K    10_A      K    10_A    19.952     0    0.081   0.613    29.572    0.000    0.000
LGA    I    11_A      I    11_A    12.632     0    0.115   1.325    15.520    0.000    0.000
LGA    I    12_A      I    12_A     8.088     0    0.180   0.347    10.201   10.238   10.238
LGA    L    13_A      L    13_A     8.257     0    0.099   0.428    14.454    5.476    2.738
LGA    N    14_A      N    14_A     6.595     0    0.114   1.158    11.724   21.071   10.774
LGA    G    15_A      G    15_A     3.152     0    0.122   0.122     7.459   31.786   31.786
LGA    E    16_A      E    16_A    10.506     0    0.171   1.152    17.156    1.786    0.794
LGA    M    17_A      M    17_A    15.533     0    0.325   1.259    18.214    0.000    0.000
LGA    E    18_A      E    18_A    18.845     0    0.176   0.890    19.927    0.000    0.000
LGA    E    19_A      E    19_A    23.053     0    0.033   0.975    30.657    0.000    0.000
LGA    A    20_A      A    20_A    21.011     0    0.044   0.065    23.306    0.000    0.000
LGA    E    21_A      E    21_A    24.000     0    0.067   0.913    32.454    0.000    0.000
LGA    L    22_A      L    22_A    20.298     0    0.188   0.848    23.486    0.000    0.000
LGA    H    23_A      H    23_A    23.259     0    0.224   1.262    30.470    0.000    0.000
LGA    M    24_A      M    24_A    20.786     0    0.109   0.866    24.089    0.000    0.000
LGA    I    25_A      I    25_A    21.936     0    0.274   1.501    26.223    0.000    0.000
LGA    T    26_A      T    26_A    19.553     0    0.173   1.232    20.473    0.000    0.000
LGA    S    27_A      S    27_A    18.008     0    0.311   0.696    18.779    0.000    0.000
LGA    P    28_A      P    28_A    14.983     0    0.472   0.435    18.810    0.000    0.000
LGA    N    29_A      N    29_A     9.938     0    0.423   1.074    11.804    3.810    4.286
LGA    R    30_A      R    30_A     6.630     0    0.360   1.525     8.504   15.952   16.623
LGA    H    31_A      H    31_A     8.575     0    0.138   1.011    14.517    2.500    1.000
LGA    C    32_A      C    32_A    10.724     0    0.121   0.613    11.045    0.476    1.032
LGA    C    33_A      C    33_A    13.798     0    0.131   0.823    17.387    0.000    0.000
LGA    L    34_A      L    34_A    14.188     0    0.034   0.651    14.906    0.000    0.000
LGA    K    35_A      K    35_A    18.132     0    0.238   0.790    26.494    0.000    0.000
LGA    I    36_A      I    36_A    17.654     0    0.061   1.582    19.723    0.000    0.000
LGA    F    37_A      F    37_A    23.911     0    0.119   1.265    30.793    0.000    0.000
LGA    H    38_A      H    38_A    23.870     0    0.184   1.302    26.851    0.000    0.000
LGA    N    39_A      N    39_A    28.746     0    0.639   0.847    30.196    0.000    0.000
LGA    N    40_A      N    40_A    33.337     0    0.111   1.153    36.794    0.000    0.000
LGA    N    41_A      N    41_A    30.666     0    0.508   0.946    32.826    0.000    0.000
LGA    Q    42_A      Q    42_A    27.533     0    0.168   1.066    31.057    0.000    0.000
LGA    L    43_A      L    43_A    22.889     0    0.624   0.676    26.245    0.000    0.000
LGA    A    44_A      A    44_A    17.334     0    0.109   0.137    19.355    0.000    0.000
LGA    E    45_A      E    45_A    13.927     0    0.342   1.067    20.360    0.000    0.000
LGA    S    46_A      S    46_A     6.723     0    0.335   0.557     9.528    9.524   18.810
LGA    N    47_A      N    47_A     3.777     0    0.302   1.256     6.772   45.476   39.226
LGA    D    48_A      D    48_A     1.288     0    0.166   0.675     2.410   77.381   81.667
LGA    T    49_A      T    49_A     1.444     0    0.137   0.732     2.513   75.119   71.973
LGA    D    50_A      D    50_A     1.170     0    0.204   1.115     4.615   81.548   65.476
LGA    Y    51_A      Y    51_A     1.633     0    0.258   1.132    12.586   81.548   34.841
LGA    F    52_A      F    52_A     0.131     0    0.293   0.475     2.597   90.833   81.342
LGA    S    53_A      S    53_A     1.848     0    0.115   0.629     4.556   69.286   60.952
LGA    C    54_A      C    54_A     3.099     0    0.338   0.659     4.804   53.214   49.921
LGA    F    55_A      F    55_A     2.148     0    0.468   1.123     6.481   52.262   47.229
LGA    A    56_A      A    56_A     6.052     0    0.193   0.223     7.373   22.976   20.381
LGA    D    57_A      D    57_A     2.956     0    0.137   1.379     5.815   57.619   52.143
LGA    L    58_A      L    58_A     0.898     0    0.047   0.782     7.959   83.810   51.607
LGA    R    59_A      R    59_A     3.313     0    0.600   1.593     6.790   36.667   50.779
LGA    N    60_A      N    60_A     8.537     0    0.129   1.115    13.474    7.262    3.631
LGA    Q    61_A      Q    61_A     4.237     0    0.211   1.270     5.559   37.976   42.487
LGA    L    62_A      L    62_A     2.695     0    0.074   1.342     5.882   45.357   46.131
LGA    K    63_A      K    63_A     8.332     0    0.687   1.145    14.249    9.762    4.339
LGA    N    64_A      N    64_A     5.399     0    0.142   0.801     6.418   34.167   31.190
LGA    I    65_A      I    65_A     2.546     0    0.188   0.745     4.656   53.571   50.357
LGA    I    66_A      I    66_A     2.899     0    0.161   1.140     4.400   53.571   56.786
LGA    F    67_A      F    67_A     4.471     0    0.146   0.889     7.314   32.976   25.411
LGA    L    68_A      L    68_A     4.945     0    0.304   0.382     5.443   30.119   28.155
LGA    C    69_A      C    69_A     3.167     0    0.242   0.703     5.496   59.881   55.079
LGA    K    70_A      K    70_A     5.010     0    0.682   0.953     9.461   27.976   16.243
LGA    G    71_A      G    71_A     4.130     0    0.070   0.070     5.520   34.762   34.762
LGA    A    72_A      A    72_A     3.434     0    0.658   0.619     4.240   48.571   48.857
LGA    K    73_A      K    73_A     1.803     0    0.237   0.990     2.509   75.119   75.979
LGA    I    74_A      I    74_A     1.153     0    0.813   1.492     4.044   68.214   65.893
LGA    N    75_A      N    75_A     1.353     0    0.088   0.974     4.143   73.214   68.631
LGA    V    76_A      V    76_A     1.262     0    0.059   0.167     1.458   81.429   81.429
LGA    Y    77_A      Y    77_A     1.294     0    0.095   0.255     1.294   83.690   85.952
LGA    P    78_A      P    78_A     1.921     0    0.173   0.168     2.905   70.833   66.054
LGA    S    79_A      S    79_A     1.983     0    0.143   0.666     3.813   61.548   61.349
LGA    A    80_A      A    80_A     3.832     0    0.301   0.296     4.370   43.690   43.619
LGA    M    81_A      M    81_A     5.842     0    0.298   1.009     6.841   25.000   20.595
LGA    S    82_A      S    82_A     5.392     0    0.614   0.757     7.266   34.524   27.540
LGA    R    83_A      R    83_A     3.955     0    0.385   1.245     7.822   40.238   27.446
LGA    D    84_A      D    84_A     2.292     0    0.253   1.288     3.566   57.500   61.369
LGA    M    85_A      M    85_A     0.951     0    0.289   1.269     5.981   81.548   60.655
LGA    S    86_A      S    86_A     2.929     0    0.619   0.920     7.064   62.976   48.889
LGA    D    87_A      D    87_A     2.816     0    0.106   0.857     5.067   46.310   54.583
LGA    G    88_A      G    88_A     6.210     0    0.693   0.693     6.210   29.286   29.286
LGA    I    89_A      I    89_A     2.508     0    0.588   0.898     4.085   53.810   52.202
LGA    V    90_A      V    90_A     0.316     0    0.068   0.848     2.777   84.167   80.816
LGA    A    91_A      A    91_A     1.250     0    0.065   0.079     2.133   90.595   85.429
LGA    Y    92_A      Y    92_A     0.260     0    0.069   0.115     2.760   97.619   79.960
LGA    E    93_A      E    93_A     0.534     0    0.043   0.571     1.222   92.857   89.524
LGA    T    94_A      T    94_A     0.689     0    0.116   1.057     2.740   88.214   81.905
LGA    T    95_A      T    95_A     2.062     0    0.041   0.288     3.145   66.786   63.810
LGA    L    96_A      L    96_A     2.344     0    0.035   1.261     4.512   60.952   56.012
LGA    G    97_A      G    97_A     4.001     0    0.247   0.247     4.001   45.119   45.119
LGA    Q    98_A      Q    98_A     3.283     0    0.099   0.578     4.591   53.810   46.032
LGA    P    99_A      P    99_A     1.777     0    0.086   0.389     2.929   77.381   73.197
LGA    G   100_A      G   100_A     1.795     0    0.207   0.207     3.821   63.690   63.690
LGA    L   101_A      L   101_A     4.271     0    0.059   1.086     5.579   36.190   40.774
LGA    P   102_A      P   102_A     8.013     0    0.193   0.386     9.808    6.905    5.442
LGA    E   103_A      E   103_A     8.312     0    0.133   0.662    10.374    6.667    3.122
LGA    N   104_A      N   104_A     4.406     0    0.218   0.969     5.426   42.619   48.452
LGA    Q   105_A      Q   105_A     2.060     0    0.166   0.713     4.110   59.167   56.667
LGA    V   106_A      V   106_A     1.476     0    0.055   0.981     3.099   83.690   78.299
LGA    H   107_A      H   107_A     1.257     0    0.139   0.648     4.052   75.119   63.333
LGA    I   108_A      I   108_A     1.698     0    0.261   0.933     3.276   67.262   68.036
LGA    F   109_A      F   109_A     2.349     0    0.457   1.111     3.446   66.786   61.515
LGA    D   110_A      D   110_A     3.016     0    0.072   0.771     5.275   55.357   45.655
LGA    F   111_A      F   111_A     2.984     0    0.122   1.104     4.430   48.571   52.468
LGA    E   112_A      E   112_A     3.134     0    0.148   1.099     3.263   51.786   61.005
LGA    D   113_A      D   113_A     3.230     0    0.643   1.015     4.693   51.786   46.071
LGA    K   114_A      K   114_A     5.268     0    0.612   1.001     9.506   26.548   15.873
LGA    Y   115_A      Y   115_A     3.709     0    0.352   0.308     6.639   43.452   32.302
LGA    V   116_A      V   116_A     3.950     0    0.285   0.228     5.770   40.357   33.605
LGA    D   117_A      D   117_A     3.031     0    0.359   1.029     4.659   53.571   48.631
LGA    I   118_A      I   118_A     2.754     0    0.212   0.374     3.680   60.952   54.643
LGA    T   119_A      T   119_A     1.566     0    0.112   0.217     2.724   77.381   70.952
LGA    P   120_A      P   120_A     0.558     0    0.074   0.109     1.073   90.476   89.184
LGA    E   121_A      E   121_A     0.949     0    0.045   1.327     6.783   85.952   59.365
LGA    E   122_A      E   122_A     1.247     0    0.116   0.376     2.811   88.214   75.344
LGA    Q   123_A      Q   123_A     0.448     0    0.112   0.994     3.362   97.619   86.138
LGA    R   124_A      R   124_A     0.937     0    0.061   1.472     5.566   90.476   70.866
LGA    K   125_A      K   125_A     0.981     0    0.070   1.365     7.761   90.476   66.138
LGA    F   126_A      F   126_A     0.570     0    0.070   0.684     3.455   97.619   75.065
LGA    H   127_A      H   127_A     0.362     0    0.028   1.198     5.803   95.238   71.667
LGA    S   128_A      S   128_A     1.051     0    0.036   0.108     1.390   83.690   82.937
LGA    Q   129_A      Q   129_A     1.254     0    0.033   0.925     2.755   81.429   81.799
LGA    W   130_A      W   130_A     0.965     0    0.047   1.552     5.153   88.214   71.293
LGA    F   131_A      F   131_A     0.931     0    0.029   0.615     4.502   83.810   64.329
LGA    E   132_A      E   132_A     2.196     0    0.024   0.908     4.464   64.881   59.471
LGA    S   133_A      S   133_A     2.304     0    0.040   0.703     4.792   64.762   57.937
LGA    L   134_A      L   134_A     1.988     0    0.176   0.813     2.412   68.810   69.821

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1073   1073  100.00               132
SUMMARY(RMSD_GDC):     8.986          8.958                  9.612           41.229   37.229

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0     74    2.33    44.129    40.121     3.049

LGA_LOCAL      RMSD:   2.327  Number of atoms:   74  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  12.202  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   8.986  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.864085 * X  +  -0.425115 * Y  +   0.269506 * Z  +  -8.224277
  Y_new =   0.410121 * X  +   0.905044 * Y  +   0.112681 * Z  +   9.745979
  Z_new =  -0.291817 * X  +   0.013164 * Y  +   0.956384 * Z  +   3.668500 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.443147  0.296126  0.013764   [DEG:   25.3904   16.9668    0.7886 ]
ZXZ:  1.966809  0.296436 -1.525715   [DEG:  112.6898   16.9845  -87.4170 ]
 
# END of job
