
#######################################################
#                                                     #
#                        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:    76       3_A - 78_A        4.92    12.82
  LONGEST_CONTINUOUS_SEGMENT:    76       4_A - 79_A        5.00    13.16
  LCS_AVERAGE:     44.96

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      35_A - 62_A        1.91    12.64
  LCS_AVERAGE:     11.67

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16     119_A - 134_A       0.59    25.78
  LCS_AVERAGE:      6.99

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   10   76      7   12   23   36   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     V     4_A     V     4_A      8   10   76      9   15   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     D     5_A     D     5_A      8   10   76      9   16   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     K     6_A     K     6_A      8   10   76      9   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     R     7_A     R     7_A      8   13   76      9   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     K     8_A     K     8_A      8   13   76      9   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     I     9_A     I     9_A      9   13   76      5   10   17   30   42   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     K    10_A     K    10_A      9   13   76      5    8   14   22   33   45   55   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     I    11_A     I    11_A      9   13   76      4    7    9   13   18   26   31   48   61   74   81   85   90   94   97  102  105  108  109  110 
LCS_GDT     I    12_A     I    12_A      9   13   76      4    8    9   11   14   20   27   31   40   55   73   82   89   94   97  102  105  108  109  110 
LCS_GDT     L    13_A     L    13_A      9   13   76      3    7    9   11   13   14   16   19   24   27   31   43   56   69   84  100  105  108  109  110 
LCS_GDT     N    14_A     N    14_A      9   13   76      3    7    9   11   13   13   16   17   21   24   30   37   51   65   77   90  105  108  109  110 
LCS_GDT     G    15_A     G    15_A      9   13   76      3    7   10   11   14   15   23   30   35   46   67   81   89   94   97  102  105  108  109  110 
LCS_GDT     E    16_A     E    16_A      9   14   76      3    7   14   20   35   45   61   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     M    17_A     M    17_A      9   14   76      9   15   23   31   42   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     E    18_A     E    18_A     10   14   76      6   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     E    19_A     E    19_A     10   16   76      6   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     A    20_A     A    20_A     10   16   76      8   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     E    21_A     E    21_A     10   16   76      8   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     L    22_A     L    22_A     10   16   76      9   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     H    23_A     H    23_A     10   16   76      9   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     M    24_A     M    24_A     10   16   76      6   16   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     I    25_A     I    25_A     10   16   76      6   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     T    26_A     T    26_A     10   16   76      6   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     S    27_A     S    27_A     10   16   76      6   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     P    28_A     P    28_A     10   16   76      3   12   25   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     N    29_A     N    29_A      4   16   76      3    4    8   15   22   37   49   68   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     R    30_A     R    30_A      5   19   76      3    3    5    9   13   16   27   35   39   50   63   75   89   94   97  102  105  108  109  110 
LCS_GDT     H    31_A     H    31_A     14   19   76      6   12   17   20   26   31   39   44   56   74   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     C    32_A     C    32_A     14   19   76      5   10   18   22   30   41   55   66   71   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     C    33_A     C    33_A     14   19   76      5   12   18   27   35   50   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     L    34_A     L    34_A     14   19   76      5   12   18   28   39   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     K    35_A     K    35_A     14   28   76      9   15   23   34   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     I    36_A     I    36_A     14   28   76      6   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     F    37_A     F    37_A     14   28   76      6   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     H    38_A     H    38_A     14   28   76      5   12   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     N    39_A     N    39_A     14   28   76      6   12   20   30   41   49   55   63   71   78   83   88   90   93   97  102  105  108  109  110 
LCS_GDT     N    40_A     N    40_A     14   28   76      3    4   15   22   31   46   53   60   71   78   81   88   90   93   97  102  105  108  109  110 
LCS_GDT     N    41_A     N    41_A     14   28   76      5   12   22   35   43   52   60   69   73   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     Q    42_A     Q    42_A     14   28   76      6   12   25   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     L    43_A     L    43_A     14   28   76      3   16   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     A    44_A     A    44_A     14   28   76      4    9   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     E    45_A     E    45_A     10   28   76      4   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     S    46_A     S    46_A     10   28   76      4    9   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     N    47_A     N    47_A     10   28   76      6   16   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     D    48_A     D    48_A     10   28   76      6   16   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     T    49_A     T    49_A     10   28   76      8   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     D    50_A     D    50_A     10   28   76      8   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     Y    51_A     Y    51_A     13   28   76      3   12   15   17   25   42   57   66   72   78   83   88   90   93   97  102  105  108  109  110 
LCS_GDT     F    52_A     F    52_A     13   28   76     10   12   15   27   36   49   57   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     S    53_A     S    53_A     13   28   76     10   12   15   31   44   55   61   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     C    54_A     C    54_A     13   28   76     10   12   18   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     F    55_A     F    55_A     13   28   76     10   12   18   34   44   52   61   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     A    56_A     A    56_A     13   28   76     10   12   21   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     D    57_A     D    57_A     13   28   76     10   12   26   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     L    58_A     L    58_A     13   28   76     10   12   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     R    59_A     R    59_A     13   28   76     10   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     N    60_A     N    60_A     13   28   76     10   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     Q    61_A     Q    61_A     13   28   76     10   17   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     L    62_A     L    62_A     13   28   76      9   14   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     K    63_A     K    63_A     13   23   76      4    7   23   30   41   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     N    64_A     N    64_A      9   19   76      4    6   15   24   34   44   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     I    65_A     I    65_A      9   19   76      4    7   15   17   34   43   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     I    66_A     I    66_A      9   19   76      4    7   15   24   34   46   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     F    67_A     F    67_A      6   19   76      3    8   22   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     L    68_A     L    68_A      6   19   76      3    5   14   31   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     C    69_A     C    69_A      5   19   76      5    5    5   22   33   44   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     K    70_A     K    70_A      5    6   76      5    5    5    6    7    8   12   15   32   39   63   84   88   93   97  102  105  108  109  110 
LCS_GDT     G    71_A     G    71_A      5    6   76      5    6   15   27   38   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     A    72_A     A    72_A      5    6   76      5    5    6   10   23   34   39   47   56   68   76   83   89   94   97  102  105  108  109  110 
LCS_GDT     K    73_A     K    73_A      5    6   76      5    5    5    6    9   11   16   21   25   32   39   50   56   72   83   89   96  103  106  110 
LCS_GDT     I    74_A     I    74_A      4    6   76      4    4    4    7   10   11   13   14   20   25   31   41   50   58   67   71   85   93  103  110 
LCS_GDT     N    75_A     N    75_A      4    5   76      4    4    4    5    7    8   13   20   26   32   39   50   61   72   78   85   91   96  103  110 
LCS_GDT     V    76_A     V    76_A      4    5   76      4    4    4    7   10   11   15   21   26   33   40   53   65   72   78   85   91   96  103  110 
LCS_GDT     Y    77_A     Y    77_A      3    5   76      0    3    3    7    9   10   17   20   26   32   39   50   56   72   76   84   89   95  103  110 
LCS_GDT     P    78_A     P    78_A      3    4   76      1    3    5    8   23   30   37   43   50   62   68   74   82   87   95  100  103  106  108  110 
LCS_GDT     S    79_A     S    79_A      3    3   76      3    3    5   11   12   14   17   22   26   32   39   45   55   72   76   84   89   95   97  102 
LCS_GDT     A    80_A     A    80_A      5    7   73      5    5   10   10   12   17   20   23   26   32   39   45   52   58   73   81   87   94   96  101 
LCS_GDT     M    81_A     M    81_A      5    7   73      5    5    5    7   12   17   28   40   49   60   68   74   82   85   93   98  101  105  108  110 
LCS_GDT     S    82_A     S    82_A      5    7   73      5    5    5    6   26   31   35   39   49   57   66   72   80   85   90   93  100  105  108  110 
LCS_GDT     R    83_A     R    83_A      5    7   73      5    5    5    6   14   31   35   42   49   60   68   77   82   88   96  100  103  106  108  110 
LCS_GDT     D    84_A     D    84_A      5    7   73      5    5   15   26   36   42   54   61   71   75   80   85   90   93   97  102  105  108  109  110 
LCS_GDT     M    85_A     M    85_A      4    8   73      4    9   26   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     S    86_A     S    86_A      4    8   73      4    4    4   14   16   28   35   56   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     D    87_A     D    87_A      4    8   73      3    4    8   14   23   42   56   66   72   78   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     G    88_A     G    88_A      4    8   73      3    4    4    6    7   19   22   30   54   72   79   84   88   92   96  101  104  108  109  110 
LCS_GDT     I    89_A     I    89_A      4    8   32      3    4    8   14   18   28   44   58   72   76   79   85   89   93   97  102  105  108  109  110 
LCS_GDT     V    90_A     V    90_A      4    8   32      3    8   14   23   35   43   56   66   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     A    91_A     A    91_A      4    8   32      3    4   22   36   44   52   60   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     Y    92_A     Y    92_A      5    8   32      3    4    4   32   38   49   58   66   71   78   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     E    93_A     E    93_A      5    6   32      3    4   14   27   36   44   52   58   71   78   81   85   90   94   97  102  105  108  109  110 
LCS_GDT     T    94_A     T    94_A      5    6   32      3    4    5   11   24   41   55   66   71   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     T    95_A     T    95_A      5    6   32      3    5    7   11   21   26   31   35   55   73   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     L    96_A     L    96_A      5    6   32      3    4    5    5    6   15   23   46   60   75   81   88   90   94   97  102  105  108  109  110 
LCS_GDT     G    97_A     G    97_A      4    7   32      3    4    5    6    8   12   18   38   47   59   73   84   89   94   97  102  105  108  109  110 
LCS_GDT     Q    98_A     Q    98_A      5    7   32      3    4    5   16   25   29   44   50   67   78   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     P    99_A     P    99_A      5    7   32      9   15   20   28   34   44   58   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     G   100_A     G   100_A      5    7   32      4   11   18   30   37   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     L   101_A     L   101_A      5    7   32      4    5   20   27   34   44   52   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     P   102_A     P   102_A      5    7   32      4   15   20   28   36   54   61   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     E   103_A     E   103_A      4    7   32      3    3   15   29   40   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     N   104_A     N   104_A      4    6   32      3    4   22   37   44   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     Q   105_A     Q   105_A      4   10   32      3    7   11   25   34   44   61   69   73   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     V   106_A     V   106_A      5   10   32      3   17   28   37   44   54   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     H   107_A     H   107_A      8   10   32      4    8   10   11   13   17   23   25   30   59   65   76   86   92   96  102  105  108  109  110 
LCS_GDT     I   108_A     I   108_A      8   10   32      4    8   10   13   17   20   22   31   37   51   64   76   85   90   96  102  105  108  109  110 
LCS_GDT     F   109_A     F   109_A      8   10   32      4    8   10   11   13   17   20   25   28   33   38   44   48   61   85   97  102  107  109  110 
LCS_GDT     D   110_A     D   110_A      8   10   32      4    8   10   11   13   17   21   25   28   34   55   64   84   92   96  100  105  108  109  110 
LCS_GDT     F   111_A     F   111_A      8   10   32      4    8   10   11   13   17   23   25   31   60   63   84   90   94   97  102  105  108  109  110 
LCS_GDT     E   112_A     E   112_A      8   10   32      4    8   10   17   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     D   113_A     D   113_A      8   10   32      5   15   23   29   44   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     K   114_A     K   114_A      8   10   32      4    8   10   11   13   19   27   56   71   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     Y   115_A     Y   115_A      4   10   32      3    3    6   16   34   45   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     V   116_A     V   116_A      4    7   32      3    9   16   33   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     D   117_A     D   117_A      4    7   32      3   13   28   37   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     I   118_A     I   118_A      4   17   32      3    3    4   10   45   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     T   119_A     T   119_A     16   17   32      3   11   16   22   37   55   62   69   74   79   83   88   90   94   97  102  105  108  109  110 
LCS_GDT     P   120_A     P   120_A     16   17   32     10   15   16   16   17   19   19   19   41   54   62   78   85   94   97  102  105  108  109  110 
LCS_GDT     E   121_A     E   121_A     16   17   31      9   15   16   16   17   19   19   19   19   21   48   55   62   83   90   92   99  108  109  110 
LCS_GDT     E   122_A     E   122_A     16   17   30     10   15   16   16   17   19   19   19   34   42   61   78   83   90   97   99  104  108  109  110 
LCS_GDT     Q   123_A     Q   123_A     16   17   20      9   15   16   16   17   19   19   19   19   25   30   40   45   56   65   73   86   93   98  102 
LCS_GDT     R   124_A     R   124_A     16   17   20      9   15   16   16   17   19   19   19   19   20   21   22   25   30   40   46   57   67   77   81 
LCS_GDT     K   125_A     K   125_A     16   17   20      9   15   16   16   17   19   19   19   19   20   21   22   30   37   48   58   68   72   84   90 
LCS_GDT     F   126_A     F   126_A     16   17   20     10   15   16   16   17   19   19   19   19   20   21   30   37   45   50   57   67   72   82   87 
LCS_GDT     H   127_A     H   127_A     16   17   20     10   15   16   16   17   19   19   19   19   20   21   22   23   24   25   27   43   49   56   61 
LCS_GDT     S   128_A     S   128_A     16   17   20     10   15   16   16   17   19   19   19   19   20   21   22   23   24   25   27   28   36   42   47 
LCS_GDT     Q   129_A     Q   129_A     16   17   20     10   15   16   16   17   19   19   19   19   20   21   22   23   29   32   39   43   49   56   61 
LCS_GDT     W   130_A     W   130_A     16   17   20     10   15   16   16   17   19   19   19   19   20   21   22   23   24   25   27   28   30   33   45 
LCS_GDT     F   131_A     F   131_A     16   17   20     10   15   16   16   17   19   19   19   19   20   21   22   23   24   25   27   28   29   30   31 
LCS_GDT     E   132_A     E   132_A     16   17   20     10   15   16   16   17   19   19   19   19   20   21   22   23   24   25   27   28   29   30   33 
LCS_GDT     S   133_A     S   133_A     16   17   20     10   15   16   16   17   19   19   19   19   20   21   22   23   24   25   27   28   29   30   31 
LCS_GDT     L   134_A     L   134_A     16   17   20      3   15   16   16   17   19   19   19   19   20   21   22   23   24   25   26   28   29   30   31 
LCS_AVERAGE  LCS_A:  21.21  (   6.99   11.67   44.96 )

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     17     28     37     45     55     62     69     74     79     83     88     90     94     97    102    105    108    109    110 
GDT PERCENT_AT   7.58  12.88  21.21  28.03  34.09  41.67  46.97  52.27  56.06  59.85  62.88  66.67  68.18  71.21  73.48  77.27  79.55  81.82  82.58  83.33
GDT RMS_LOCAL    0.28   0.73   1.04   1.27   1.62   2.00   2.28   2.45   2.73   2.92   3.07   3.39   3.48   4.01   3.93   4.33   4.65   4.88   4.95   5.03
GDT RMS_ALL_AT  26.11  12.17  12.10  12.14  11.96  11.63  11.53  11.55  11.38  11.39  11.47  11.45  11.55  11.18  11.37  11.26  11.22  11.12  11.12  11.14

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  E    16_A      E    16_A
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  E    21_A      E    21_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  Y    77_A      Y    77_A
#   possible swapping detected:  D    84_A      D    84_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  D   110_A      D   110_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A     1.836     3    0.526   0.518     3.298   71.429   45.893
LGA    V     4_A      V     4_A     1.067     0    0.026   0.123     1.842   85.952   82.789
LGA    D     5_A      D     5_A     0.596     0    0.027   0.109     1.373   95.238   91.726
LGA    K     6_A      K     6_A     0.579     0    0.034   0.881     5.752   90.476   66.138
LGA    R     7_A      R     7_A     0.731     0    0.137   1.242     4.637   83.810   71.126
LGA    K     8_A      K     8_A     1.152     0    0.059   0.967     3.105   79.405   74.339
LGA    I     9_A      I     9_A     2.912     0    0.048   1.272     6.691   57.262   45.119
LGA    K    10_A      K    10_A     4.358     0    0.039   0.785     8.245   28.810   22.011
LGA    I    11_A      I    11_A     7.215     0    0.089   1.091    10.379   15.714   10.357
LGA    I    12_A      I    12_A     9.563     0    0.027   1.256    13.410    0.476    0.238
LGA    L    13_A      L    13_A    12.852     0    0.071   0.971    17.646    0.000    0.000
LGA    N    14_A      N    14_A    14.685     0    0.091   0.200    19.028    0.000    0.000
LGA    G    15_A      G    15_A    11.003     0    0.024   0.024    12.282    2.976    2.976
LGA    E    16_A      E    16_A     4.550     0    0.030   1.110     7.139   25.000   31.270
LGA    M    17_A      M    17_A     2.485     0    0.087   1.288     9.356   73.452   48.214
LGA    E    18_A      E    18_A     1.146     0    0.133   1.156     7.892   85.952   55.661
LGA    E    19_A      E    19_A     0.903     0    0.027   0.596     4.087   90.476   70.000
LGA    A    20_A      A    20_A     0.789     0    0.070   0.068     1.280   85.952   85.048
LGA    E    21_A      E    21_A     1.130     0    0.048   0.693     4.535   81.429   65.450
LGA    L    22_A      L    22_A     1.090     0    0.076   0.871     3.770   85.952   78.929
LGA    H    23_A      H    23_A     0.917     0    0.068   0.883     3.206   88.214   72.048
LGA    M    24_A      M    24_A     1.532     0    0.145   1.155     7.614   83.810   62.083
LGA    I    25_A      I    25_A     0.977     0    0.085   0.423     3.657   85.952   77.857
LGA    T    26_A      T    26_A     0.493     0    0.213   1.112     2.328   97.619   87.211
LGA    S    27_A      S    27_A     0.935     0    0.089   0.607     2.335   88.214   83.175
LGA    P    28_A      P    28_A     2.436     0    0.048   0.112     3.478   63.810   69.048
LGA    N    29_A      N    29_A     6.065     0    0.367   1.120     7.827   16.429   19.583
LGA    R    30_A      R    30_A    10.664     0    0.165   1.040    20.301    0.714    0.260
LGA    H    31_A      H    31_A     8.039     0    0.531   1.448    10.393    8.214    5.524
LGA    C    32_A      C    32_A     5.870     0    0.081   0.132     6.927   17.381   17.302
LGA    C    33_A      C    33_A     4.065     0    0.095   0.191     4.349   47.262   43.889
LGA    L    34_A      L    34_A     3.067     0    0.058   0.099     3.713   48.452   50.179
LGA    K    35_A      K    35_A     1.946     0    0.094   0.897     4.171   75.119   64.603
LGA    I    36_A      I    36_A     0.188     0    0.070   1.208     4.444   90.595   74.762
LGA    F    37_A      F    37_A     1.471     0    0.009   0.219     3.017   81.548   68.182
LGA    H    38_A      H    38_A     2.404     0    0.117   0.219     3.863   57.381   51.667
LGA    N    39_A      N    39_A     5.204     0    0.036   1.402     6.898   24.524   23.988
LGA    N    40_A      N    40_A     6.001     0    0.028   1.215    10.145   20.476   14.167
LGA    N    41_A      N    41_A     3.896     0    0.164   1.095     6.771   48.810   37.262
LGA    Q    42_A      Q    42_A     2.663     0    0.183   0.564     4.720   57.262   51.217
LGA    L    43_A      L    43_A     2.144     0    0.596   1.300     3.369   66.905   61.131
LGA    A    44_A      A    44_A     2.332     0    0.083   0.087     2.830   60.952   60.190
LGA    E    45_A      E    45_A     1.023     0    0.150   0.632     4.404   79.405   63.757
LGA    S    46_A      S    46_A     1.211     0    0.093   0.603     1.847   83.690   83.016
LGA    N    47_A      N    47_A     1.332     0    0.090   0.928     4.437   75.119   65.774
LGA    D    48_A      D    48_A     1.332     0    0.035   0.892     3.677   83.690   74.583
LGA    T    49_A      T    49_A     0.995     0    0.618   0.940     4.277   75.833   67.211
LGA    D    50_A      D    50_A     1.329     0    0.268   1.214     6.122   66.071   46.548
LGA    Y    51_A      Y    51_A     4.734     0    0.666   1.404    13.065   42.619   15.516
LGA    F    52_A      F    52_A     3.836     0    0.050   0.209     4.130   45.119   41.732
LGA    S    53_A      S    53_A     3.009     0    0.013   0.654     3.603   53.571   52.460
LGA    C    54_A      C    54_A     2.804     0    0.058   0.697     2.979   57.143   58.413
LGA    F    55_A      F    55_A     3.208     0    0.034   0.266     5.084   53.571   40.649
LGA    A    56_A      A    56_A     2.608     0    0.046   0.045     2.801   60.952   60.190
LGA    D    57_A      D    57_A     2.404     0    0.086   0.402     3.308   62.857   61.012
LGA    L    58_A      L    58_A     2.486     0    0.099   1.228     5.057   64.762   52.083
LGA    R    59_A      R    59_A     2.201     0    0.052   0.933     6.111   64.762   48.095
LGA    N    60_A      N    60_A     2.157     0    0.066   0.919     5.279   64.762   53.810
LGA    Q    61_A      Q    61_A     2.186     0    0.037   0.798     5.190   64.762   52.857
LGA    L    62_A      L    62_A     2.317     0    0.225   0.308     5.566   73.095   52.679
LGA    K    63_A      K    63_A     2.738     0    0.285   0.903     8.786   55.476   34.444
LGA    N    64_A      N    64_A     3.949     0    0.186   1.194     4.383   45.000   50.476
LGA    I    65_A      I    65_A     4.024     0    0.063   1.332     5.018   41.905   38.988
LGA    I    66_A      I    66_A     3.878     0    0.090   0.705     6.641   43.690   33.393
LGA    F    67_A      F    67_A     2.129     0    0.615   1.492     7.994   63.095   41.255
LGA    L    68_A      L    68_A     2.712     0    0.472   1.392     6.657   59.167   47.560
LGA    C    69_A      C    69_A     3.914     0    0.594   0.591     6.479   35.952   35.397
LGA    K    70_A      K    70_A     7.834     0    0.074   0.759    17.489   11.905    5.344
LGA    G    71_A      G    71_A     2.879     0    0.188   0.188     5.649   39.762   39.762
LGA    A    72_A      A    72_A     7.895     0    0.209   0.221    11.903    8.452    7.714
LGA    K    73_A      K    73_A    12.530     0    0.615   1.076    19.498    0.000    0.000
LGA    I    74_A      I    74_A    14.460     0    0.068   0.905    16.747    0.000    0.000
LGA    N    75_A      N    75_A    13.978     0    0.107   1.099    14.335    0.000    0.000
LGA    V    76_A      V    76_A    14.200     0    0.607   0.571    15.992    0.000    0.000
LGA    Y    77_A      Y    77_A    14.372     0    0.637   0.929    16.929    0.000    0.000
LGA    P    78_A      P    78_A    10.444     0    0.670   0.648    13.697    0.000    1.088
LGA    S    79_A      S    79_A    15.524     0    0.669   0.586    16.789    0.000    0.000
LGA    A    80_A      A    80_A    16.035     0    0.500   0.473    17.104    0.000    0.000
LGA    M    81_A      M    81_A    11.671     0    0.100   1.195    13.807    0.714    0.357
LGA    S    82_A      S    82_A    11.954     0    0.039   0.125    15.290    0.000    0.000
LGA    R    83_A      R    83_A     9.990     0    0.353   1.784    15.573    7.976    2.900
LGA    D    84_A      D    84_A     5.918     0    0.413   0.552     9.720   29.643   16.488
LGA    M    85_A      M    85_A     1.804     0    0.068   0.770     5.381   51.786   50.298
LGA    S    86_A      S    86_A     6.035     0    0.535   0.492     8.507   29.286   20.794
LGA    D    87_A      D    87_A     5.513     0    0.359   0.587     9.151   22.262   15.119
LGA    G    88_A      G    88_A     7.028     0    0.142   0.142     7.485   11.786   11.786
LGA    I    89_A      I    89_A     6.615     0    0.645   0.902     8.401   11.190   15.536
LGA    V    90_A      V    90_A     5.192     0    0.032   0.124     8.885   47.738   32.585
LGA    A    91_A      A    91_A     3.386     0    0.543   0.551     5.985   54.048   47.524
LGA    Y    92_A      Y    92_A     5.163     0    0.644   1.267     6.362   22.738   30.952
LGA    E    93_A      E    93_A     7.034     0    0.033   0.752    15.079   13.571    6.190
LGA    T    94_A      T    94_A     5.669     0    0.091   0.154     6.419   19.286   21.565
LGA    T    95_A      T    95_A     7.784     0    0.049   0.081    11.403    7.976    4.558
LGA    L    96_A      L    96_A     6.636     0    0.235   0.248     8.936   14.286   10.655
LGA    G    97_A      G    97_A     8.605     0    0.608   0.608    10.843    3.214    3.214
LGA    Q    98_A      Q    98_A     8.295     0    0.703   1.047    15.332   13.810    6.190
LGA    P    99_A      P    99_A     4.929     0    0.141   0.271     8.448   24.286   17.483
LGA    G   100_A      G   100_A     3.405     0    0.017   0.017     4.691   42.024   42.024
LGA    L   101_A      L   101_A     5.016     0    0.074   0.163     9.967   35.952   20.476
LGA    P   102_A      P   102_A     3.864     0    0.604   0.852     6.316   41.905   33.946
LGA    E   103_A      E   103_A     3.024     0    0.503   1.379     7.874   65.119   37.672
LGA    N   104_A      N   104_A     1.920     0    0.068   0.878     4.455   61.548   58.810
LGA    Q   105_A      Q   105_A     3.634     0    0.655   0.999    10.354   51.905   28.624
LGA    V   106_A      V   106_A     2.838     0    0.621   1.469     6.552   45.119   33.333
LGA    H   107_A      H   107_A     7.265     0    0.161   1.005    14.306   15.833    6.810
LGA    I   108_A      I   108_A     8.246     0    0.036   1.379    12.067    4.286    2.560
LGA    F   109_A      F   109_A    10.237     0    0.314   0.250    15.689    0.476    0.173
LGA    D   110_A      D   110_A     7.784     0    0.665   1.134     8.539    5.476    7.798
LGA    F   111_A      F   111_A     6.361     0    0.604   1.270     8.655   18.452   11.818
LGA    E   112_A      E   112_A     2.396     0    0.061   1.081     3.726   59.524   66.296
LGA    D   113_A      D   113_A     2.109     0    0.196   1.159     4.863   53.095   57.083
LGA    K   114_A      K   114_A     5.504     0    0.028   1.211    14.947   36.429   16.720
LGA    Y   115_A      Y   115_A     3.837     0    0.389   1.581     9.519   57.500   27.540
LGA    V   116_A      V   116_A     2.939     0    0.436   0.845     7.157   65.000   44.218
LGA    D   117_A      D   117_A     1.185     0    0.411   0.898     5.040   79.286   61.071
LGA    I   118_A      I   118_A     2.546     0    0.602   1.708     5.490   49.524   47.560
LGA    T   119_A      T   119_A     3.095     0    0.091   0.179     7.117   36.548   43.878
LGA    P   120_A      P   120_A     9.893     0    0.125   0.258    14.005    3.452    6.054
LGA    E   121_A      E   121_A    13.315     0    0.028   0.229    19.553    0.000    0.000
LGA    E   122_A      E   122_A    11.488     0    0.049   0.587    15.671    0.000   11.587
LGA    Q   123_A      Q   123_A    16.343     0    0.024   0.564    20.898    0.000    0.000
LGA    R   124_A      R   124_A    21.152     0    0.064   1.380    24.571    0.000    0.000
LGA    K   125_A      K   125_A    21.275     0    0.025   0.840    24.262    0.000    0.000
LGA    F   126_A      F   126_A    22.518     0    0.028   0.304    27.264    0.000    0.000
LGA    H   127_A      H   127_A    27.863     0    0.000   0.095    33.205    0.000    0.000
LGA    S   128_A      S   128_A    31.087     0    0.104   0.656    34.377    0.000    0.000
LGA    Q   129_A      Q   129_A    30.984     0    0.024   0.135    34.749    0.000    0.000
LGA    W   130_A      W   130_A    34.245     0    0.008   1.630    40.071    0.000    0.000
LGA    F   131_A      F   131_A    39.341     0    0.060   1.448    46.237    0.000    0.000
LGA    E   132_A      E   132_A    40.990     0    0.132   1.039    43.812    0.000    0.000
LGA    S   133_A      S   133_A    41.369     0    0.139   0.718    45.553    0.000    0.000
LGA    L   134_A      L   134_A    47.169     0    0.268   0.358    51.561    0.000    0.000

# 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):    10.300         10.457                 11.395           39.088   32.944

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0     69    2.45    42.614    36.926     2.708

LGA_LOCAL      RMSD:   2.448  Number of atoms:   69  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  11.553  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:  10.300  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.461542 * X  +   0.503948 * Y  +  -0.730079 * Z  + 116.711426
  Y_new =  -0.255318 * X  +  -0.863617 * Y  +  -0.434717 * Z  +  94.594231
  Z_new =  -0.849583 * X  +  -0.014237 * Y  +   0.527262 * Z  + -98.484444 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.636307  1.015195 -0.026996   [DEG: -151.0493   58.1664   -1.5467 ]
ZXZ: -1.033738  1.015421 -1.587553   [DEG:  -59.2288   58.1793  -90.9601 ]
 
# END of job
