
#######################################################
#                                                     #
#                        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  132 ( 1136),  selected  124 , name one
# Molecule2: number of CA atoms  124 ( 1059),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:D  -ch2:D  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70       7_D - 76_D        5.00    11.24
  LCS_AVERAGE:     48.61

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54       7_D - 60_D        1.88     7.87
  LCS_AVERAGE:     29.86

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      28_D - 57_D        0.99    13.56
  LONGEST_CONTINUOUS_SEGMENT:    30      94_D - 123_D       0.97     6.95
  LCS_AVERAGE:     17.46

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     2_D     D     2_D      5    6   63      5    5    5    6    6    7    7    7    8    9   11   11   14   34   35   39   43   44   45   50 
LCS_GDT     K     3_D     K     3_D      5    6   63      5    5    5    6    6    7    7    7   16   21   24   28   31   34   36   39   45   46   92  101 
LCS_GDT     E     4_D     E     4_D      5    6   63      5    5    5    6    6    7    7    8   10   13   24   28   33   71   77   87   90   96  100  101 
LCS_GDT     I     5_D     I     5_D      5    6   64      5    5    5    6    6    7    7    8   14   21   53   60   67   83   89   89   92   98  100  101 
LCS_GDT     A     6_D     A     6_D      5   52   68      5    5    5    6    6   16   43   60   68   77   82   86   92   94   98   98   99  100  104  108 
LCS_GDT     K     7_D     K     7_D     22   54   70      4   15   36   46   52   72   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     E     8_D     E     8_D     22   54   70      6   23   37   48   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     I     9_D     I     9_D     22   54   70      9   23   37   48   53   73   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     F    10_D     F    10_D     22   54   70      9   23   37   48   56   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     N    11_D     N    11_D     22   54   70      8   23   37   48   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     M    12_D     M    12_D     22   54   70      7   23   36   48   64   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     M    13_D     M    13_D     22   54   70      9   23   37   48   64   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     F    14_D     F    14_D     22   54   70      9   23   37   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     M    15_D     M    15_D     22   54   70      9   23   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     L    16_D     L    16_D     22   54   70      9   23   37   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     L    17_D     L    17_D     22   54   70      9   23   37   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     W    18_D     W    18_D     22   54   70     10   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     R    19_D     R    19_D     22   54   70      6   23   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     V    20_D     V    20_D     22   54   70      9   25   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     F    21_D     F    21_D     22   54   70     11   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     R    22_D     R    22_D     22   54   70      9   23   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     S    23_D     S    23_D     22   54   70      4   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     Q    24_D     Q    24_D     22   54   70      9   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     R    25_D     R    25_D     22   54   70      6   23   37   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     I    26_D     I    26_D     22   54   70      5   22   38   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     D    27_D     D    27_D     22   54   70      5   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     A    28_D     A    28_D     30   54   70      5   23   37   53   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     N    29_D     N    29_D     30   54   70      6   16   30   43   51   56   75   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     N    30_D     N    30_D     30   54   70     10   14   27   36   48   56   66   83   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     V    31_D     V    31_D     30   54   70     14   23   36   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     E    32_D     E    32_D     30   54   70     12   24   38   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     L    33_D     L    33_D     30   54   70     10   24   30   48   54   75   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     I    34_D     I    34_D     30   54   70     11   24   36   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     K    35_D     K    35_D     30   54   70     14   24   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     F    36_D     F    36_D     30   54   70     14   24   34   49   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     N    37_D     N    37_D     30   54   70     14   26   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     I    38_D     I    38_D     30   54   70     14   24   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     R    39_D     R    39_D     30   54   70     14   24   37   53   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     V    40_D     V    40_D     30   54   70     14   25   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     L    41_D     L    41_D     30   54   70     13   24   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     D    42_D     D    42_D     30   54   70     13   24   37   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     W    43_D     W    43_D     30   54   70     14   24   37   53   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     I    44_D     I    44_D     30   54   70     13   24   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     M    45_D     M    45_D     30   54   70     14   24   37   49   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     A    46_D     A    46_D     30   54   70     14   24   37   48   61   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     E    47_D     E    47_D     30   54   70     14   24   37   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     A    48_D     A    48_D     30   54   70     14   24   36   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     D    49_D     D    49_D     30   54   70     14   24   37   48   60   75   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     N    50_D     N    50_D     30   54   70     14   24   37   48   61   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     D    51_D     D    51_D     30   54   70     14   24   37   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     L    52_D     L    52_D     30   54   70     12   24   36   49   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     C    53_D     C    53_D     30   54   70     13   24   37   48   61   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     Y    54_D     Y    54_D     30   54   70     13   24   37   49   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     F    55_D     F    55_D     30   54   70     13   24   35   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     I    56_D     I    56_D     30   54   70      3    3   27   40   53   75   82   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     G    57_D     G    57_D     30   54   70      0   19   26   29   52   65   71   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     T    58_D     T    58_D     25   54   70      2    4    5   32   53   75   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     H    59_D     H    59_D      5   54   70      3   16   37   48   51   60   75   85   88   89   90   93   95   96   98   98   99  100  104  107 
LCS_GDT     D    60_D     D    60_D      5   54   70      3    4    5    5    6    9   33   76   82   88   90   92   95   96   98   98   99  100  104  108 
LCS_GDT     K    61_D     K    61_D      5    5   70      3    4    5    6    8   35   67   76   84   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     C    62_D     C    62_D      4    5   70      3    4    4    5    8   12   17   70   82   85   90   92   93   96   98   98   99  100  104  108 
LCS_GDT     E    63_D     E    63_D      4    5   70      3    4   12   15   16   20   24   32   37   41   52   55   75   83   91   95   98  100  104  108 
LCS_GDT     N    64_D     N    64_D      4   17   70      3    4    4   24   25   30   32   32   33   38   43   52   59   70   74   81   93   98  104  108 
LCS_GDT     P    65_D     P    65_D     15   17   70     11   15   18   20   21   25   30   33   38   44   49   55   60   71   76   87   94   98  104  108 
LCS_GDT     K    66_D     K    66_D     15   17   70     11   15   18   20   21   25   30   33   38   44   49   55   57   66   73   85   89   95  100  106 
LCS_GDT     E    67_D     E    67_D     15   17   70     11   15   18   20   21   25   30   33   37   44   49   55   57   64   73   80   88   95   99  106 
LCS_GDT     Q    68_D     Q    68_D     15   17   70     11   15   18   20   21   25   30   33   38   44   49   56   61   70   76   89   94   99  104  108 
LCS_GDT     W    69_D     W    69_D     15   17   70     11   15   18   20   21   25   30   33   38   44   49   55   61   70   85   89   94   99  104  108 
LCS_GDT     V    70_D     V    70_D     15   17   70     11   15   18   20   21   25   30   33   38   44   49   55   57   64   73   85   89   98  103  108 
LCS_GDT     A    71_D     A    71_D     15   17   70     11   15   18   20   21   25   30   33   38   45   54   57   61   64   85   89   94   99  104  108 
LCS_GDT     N    72_D     N    72_D     15   17   70     11   15   18   20   21   25   31   35   40   48   56   62   72   83   91   95   98  100  104  108 
LCS_GDT     Y    73_D     Y    73_D     15   17   70     11   15   18   20   21   25   30   33   39   44   49   55   61   77   85   89   96   99  104  108 
LCS_GDT     Q    74_D     Q    74_D     15   17   70     11   15   18   20   21   25   30   33   39   44   49   55   61   64   85   89   91   99  104  108 
LCS_GDT     N    75_D     N    75_D     15   17   70     11   15   18   20   21   25   31   35   41   47   53   62   72   83   91   95   98  100  104  108 
LCS_GDT     L    76_D     L    76_D     15   17   70     11   15   18   20   21   25   30   33   39   46   53   62   75   83   91   95   98  100  104  108 
LCS_GDT     N    77_D     N    77_D     15   17   22     11   15   18   20   21   25   30   33   39   44   49   55   57   62   71   89   91   98  104  108 
LCS_GDT     N    78_D     N    78_D     15   17   22     11   15   18   20   21   25   30   33   39   44   49   55   57   77   85   90   96   99  104  108 
LCS_GDT     V    79_D     V    79_D     15   17   47      4   12   18   20   21   25   30   33   38   44   49   62   74   83   91   95   98  100  104  108 
LCS_GDT     V    80_D     V    80_D      3   17   47      3    3    3    4   19   23   26   33   38   44   49   55   66   82   89   95   98  100  104  108 
LCS_GDT     F    81_D     F    81_D      4   17   47      3    3   10   15   17   18   28   36   57   71   77   81   88   91   93   95   98  100  104  108 
LCS_GDT     T    82_D     T    82_D      4    6   47      3    3    6   16   25   34   52   67   72   78   83   91   93   96   97   97   99  100  104  108 
LCS_GDT     N    83_D     N    83_D      4    6   47      8   22   33   50   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     K    84_D     K    84_D      4    6   47      3    4    4    8   51   56   70   81   87   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     E    85_D     E    85_D      4    6   47      3    4    4    8    9   51   55   63   76   86   89   93   95   96   98   98   99   99  100  108 
LCS_GDT     L    86_D     L    86_D      4    6   47      3    4    4    4    6    7   26   56   70   79   89   93   95   96   98   98   99   99  100  104 
LCS_GDT     E    87_D     E    87_D      4    6   47      3    4    4    4    5   12   55   63   77   87   89   93   95   96   98   98   99   99  101  108 
LCS_GDT     D    88_D     D    88_D      4    6   47      3    5   10   18   26   32   34   36   37   62   82   91   95   96   98   98   99   99  100  102 
LCS_GDT     I    89_D     I    89_D      4    6   47      3    3    4    4    6    9   11   17   22   30   40   41   42   42   79   89   95   99  100  102 
LCS_GDT     Y    90_D     Y    90_D      4    6   47      0    3    4    4    6    7    9   11   15   17   24   32   42   42   43   86   90   99  100  102 
LCS_GDT     D    91_D     D    91_D      3   35   47      3    3    3    4    8   16   26   36   37   53   86   93   95   96   98   98   99   99  104  108 
LCS_GDT     L    92_D     L    92_D     22   35   47      5   13   31   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     S    93_D     S    93_D     22   35   47      3    8   21   32   41   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     N    94_D     N    94_D     30   35   47      9   22   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     K    95_D     K    95_D     30   35   47     12   22   41   52   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     E    96_D     E    96_D     30   35   47      8   21   37   52   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     E    97_D     E    97_D     30   35   47      8   21   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     T    98_D     T    98_D     30   35   47     14   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     K    99_D     K    99_D     30   35   47     14   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     E   100_D     E   100_D     30   35   47     14   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     V   101_D     V   101_D     30   35   47     14   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     L   102_D     L   102_D     30   35   47     14   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     K   103_D     K   103_D     30   35   47     14   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     K   104_D     K   104_D     30   35   47     14   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     F   105_D     F   105_D     30   35   47     14   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     K   106_D     K   106_D     30   35   47     14   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     E   107_D     E   107_D     30   35   47     14   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     K   108_D     K   108_D     30   35   47     12   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     V   109_D     V   109_D     30   35   47     14   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     N   110_D     N   110_D     30   35   47     14   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     Q   111_D     Q   111_D     30   35   47     14   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     F   112_D     F   112_D     30   35   47      9   23   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     Y   113_D     Y   113_D     30   35   47     12   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     R   114_D     R   114_D     30   35   47     11   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     H   115_D     H   115_D     30   35   47      9   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     A   116_D     A   116_D     30   35   47     11   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     F   117_D     F   117_D     30   35   47     11   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     D   118_D     D   118_D     30   35   47     10   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     I   119_D     I   119_D     30   35   47     11   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     I   120_D     I   120_D     30   35   47      5   27   41   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     N   121_D     N   121_D     30   35   47      5   20   38   51   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     K   122_D     K   122_D     30   35   47      7   23   40   51   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     Y   123_D     Y   123_D     30   35   47      5   19   33   51   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     G   124_D     G   124_D     27   35   47      3    4   15   47   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_GDT     L   125_D     L   125_D      4   35   47      3   15   36   54   66   78   83   85   88   89   90   93   95   96   98   98   99  100  104  108 
LCS_AVERAGE  LCS_A:  31.98  (  17.46   29.86   48.61 )

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     14     27     41     54     66     78     83     85     88     89     90     93     95     96     98     98     99    100    104    108 
GDT PERCENT_AT  11.29  21.77  33.06  43.55  53.23  62.90  66.94  68.55  70.97  71.77  72.58  75.00  76.61  77.42  79.03  79.03  79.84  80.65  83.87  87.10
GDT RMS_LOCAL    0.28   0.71   1.01   1.40   1.60   1.94   2.07   2.16   2.29   2.36   2.42   2.77   2.92   2.98   3.19   3.19   3.29   3.97   5.03   5.07
GDT RMS_ALL_AT  13.98   6.99   7.06   7.12   7.08   7.22   7.26   7.30   7.33   7.34   7.32   7.45   7.48   7.35   7.38   7.38   7.33   6.90   6.72   6.72

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  E     4_D      E     4_D
#   possible swapping detected:  F    10_D      F    10_D
#   possible swapping detected:  F    21_D      F    21_D
#   possible swapping detected:  D    51_D      D    51_D
#   possible swapping detected:  Y    54_D      Y    54_D
#   possible swapping detected:  D    60_D      D    60_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  E    87_D      E    87_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  E   100_D      E   100_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  Y   113_D      Y   113_D
#   possible swapping detected:  F   117_D      F   117_D
#   possible swapping detected:  Y   123_D      Y   123_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D    19.993     0    0.625   1.140    23.250    0.000    0.000
LGA    K     3_D      K     3_D    15.198     0    0.098   0.920    20.017    0.000    0.000
LGA    E     4_D      E     4_D    13.579     0    0.166   1.158    17.150    0.000    0.000
LGA    I     5_D      I     5_D    12.675     0    0.131   0.109    19.835    0.119    0.060
LGA    A     6_D      A     6_D     8.859     0    0.572   0.568    10.592    6.548    5.333
LGA    K     7_D      K     7_D     3.528     0    0.595   0.814     4.798   49.167   52.857
LGA    E     8_D      E     8_D     2.440     0    0.626   0.555     6.167   61.190   47.249
LGA    I     9_D      I     9_D     3.239     0    0.230   1.356     5.808   51.786   41.429
LGA    F    10_D      F    10_D     2.903     0    0.064   1.346     8.134   59.167   37.186
LGA    N    11_D      N    11_D     2.342     0    0.120   1.250     5.416   66.786   57.202
LGA    M    12_D      M    12_D     2.894     0    0.011   0.818     5.913   57.143   44.583
LGA    M    13_D      M    13_D     2.665     0    0.010   0.746     4.461   62.976   52.440
LGA    F    14_D      F    14_D     1.341     0    0.024   0.330     3.670   79.286   66.277
LGA    M    15_D      M    15_D     1.558     0    0.045   1.178     5.410   75.000   63.393
LGA    L    16_D      L    16_D     1.692     0    0.114   1.400     5.280   72.857   62.202
LGA    L    17_D      L    17_D     1.379     0    0.033   1.327     5.380   81.429   67.440
LGA    W    18_D      W    18_D     1.380     0    0.028   1.510     5.110   77.143   61.871
LGA    R    19_D      R    19_D     2.228     0    0.040   1.237     4.582   64.881   56.147
LGA    V    20_D      V    20_D     1.658     0    0.023   0.118     2.456   77.143   74.150
LGA    F    21_D      F    21_D     1.243     0    0.017   0.996     4.905   77.143   59.957
LGA    R    22_D      R    22_D     2.100     0    0.061   0.894     9.050   68.810   37.879
LGA    S    23_D      S    23_D     1.334     0    0.267   0.248     2.503   73.214   75.952
LGA    Q    24_D      Q    24_D     1.292     0    0.108   1.129     2.403   83.690   78.677
LGA    R    25_D      R    25_D     1.965     0    0.098   1.139     6.737   72.857   51.039
LGA    I    26_D      I    26_D     2.036     0    0.068   0.138     3.857   70.833   61.369
LGA    D    27_D      D    27_D     1.318     0    0.101   0.581     2.021   75.000   77.321
LGA    A    28_D      A    28_D     2.207     0    0.080   0.084     2.854   62.976   61.810
LGA    N    29_D      N    29_D     4.533     0    0.570   1.076     8.644   37.857   23.810
LGA    N    30_D      N    30_D     4.553     0    0.022   1.234     9.800   40.714   24.345
LGA    V    31_D      V    31_D     1.919     0    0.090   0.110     2.700   75.476   74.422
LGA    E    32_D      E    32_D     1.794     0    0.018   0.841     3.751   70.952   57.143
LGA    L    33_D      L    33_D     3.303     0    0.035   1.459     7.623   55.357   43.393
LGA    I    34_D      I    34_D     2.092     0    0.054   0.152     4.147   75.357   61.131
LGA    K    35_D      K    35_D     0.827     0    0.024   0.582     2.734   88.333   78.942
LGA    F    36_D      F    36_D     2.516     0    0.043   1.189     6.322   64.881   45.281
LGA    N    37_D      N    37_D     2.064     0    0.096   1.248     6.903   77.381   55.357
LGA    I    38_D      I    38_D     0.723     0    0.054   0.142     2.283   88.214   79.583
LGA    R    39_D      R    39_D     2.038     0    0.031   0.992     7.128   72.976   50.260
LGA    V    40_D      V    40_D     1.630     0    0.056   0.077     2.487   77.143   72.993
LGA    L    41_D      L    41_D     0.443     0    0.062   0.379     2.493   92.857   85.119
LGA    D    42_D      D    42_D     1.479     0    0.016   0.288     2.098   77.381   75.119
LGA    W    43_D      W    43_D     1.910     0    0.043   1.666     5.335   75.000   59.150
LGA    I    44_D      I    44_D     0.313     0    0.046   0.687     2.064   92.857   88.512
LGA    M    45_D      M    45_D     2.005     0    0.012   0.626     3.691   68.929   64.345
LGA    A    46_D      A    46_D     2.835     0    0.017   0.025     3.268   59.048   57.238
LGA    E    47_D      E    47_D     1.710     0    0.040   0.988     6.785   77.143   54.074
LGA    A    48_D      A    48_D     1.337     0    0.048   0.046     2.018   79.405   76.476
LGA    D    49_D      D    49_D     3.085     0    0.027   0.205     4.626   55.476   46.369
LGA    N    50_D      N    50_D     2.864     0    0.055   0.192     3.819   59.048   53.750
LGA    D    51_D      D    51_D     1.234     0    0.036   0.803     2.602   79.286   76.369
LGA    L    52_D      L    52_D     2.021     0    0.068   0.126     2.924   66.786   63.869
LGA    C    53_D      C    53_D     2.851     0    0.058   0.149     3.934   59.048   54.921
LGA    Y    54_D      Y    54_D     2.146     0    0.042   0.086     3.774   68.810   60.595
LGA    F    55_D      F    55_D     1.125     0    0.491   1.507     7.607   73.214   50.952
LGA    I    56_D      I    56_D     3.958     0    0.345   0.496     5.048   37.738   38.274
LGA    G    57_D      G    57_D     5.287     0    0.489   0.489     5.287   37.738   37.738
LGA    T    58_D      T    58_D     3.516     0    0.631   1.024     4.141   54.524   49.728
LGA    H    59_D      H    59_D     4.632     0    0.431   0.381     6.822   42.262   27.714
LGA    D    60_D      D    60_D     6.391     0    0.547   1.396    10.168   18.929   10.179
LGA    K    61_D      K    61_D     5.627     0    0.437   1.097     5.952   21.429   28.360
LGA    C    62_D      C    62_D     7.321     0    0.148   0.248    10.488    5.952    6.984
LGA    E    63_D      E    63_D    13.044     0    0.574   0.665    16.180    0.000    0.000
LGA    N    64_D      N    64_D    15.512     0    0.262   0.762    16.581    0.000    0.000
LGA    P    65_D      P    65_D    15.745     0    0.578   0.526    16.635    0.000    0.000
LGA    K    66_D      K    66_D    17.830     0    0.073   1.203    25.463    0.000    0.000
LGA    E    67_D      E    67_D    18.551     0    0.036   0.911    24.528    0.000    0.000
LGA    Q    68_D      Q    68_D    15.643     0    0.034   1.134    16.655    0.000    0.000
LGA    W    69_D      W    69_D    14.920     0    0.045   1.109    15.464    0.000    0.238
LGA    V    70_D      V    70_D    17.144     0    0.044   0.131    19.242    0.000    0.000
LGA    A    71_D      A    71_D    16.354     0    0.059   0.073    16.614    0.000    0.000
LGA    N    72_D      N    72_D    13.121     0    0.011   0.065    14.325    0.000    0.000
LGA    Y    73_D      Y    73_D    14.632     0    0.000   0.346    17.924    0.000    0.000
LGA    Q    74_D      Q    74_D    16.512     0    0.000   0.963    20.909    0.000    0.000
LGA    N    75_D      N    75_D    13.798     0    0.074   0.190    14.656    0.000    0.000
LGA    L    76_D      L    76_D    12.505     0    0.053   0.654    13.595    0.000    0.000
LGA    N    77_D      N    77_D    15.945     0    0.064   0.174    19.183    0.000    0.000
LGA    N    78_D      N    78_D    15.379     0    0.302   0.300    17.865    0.000    0.000
LGA    V    79_D      V    79_D    12.124     0    0.589   0.538    13.910    0.000    0.000
LGA    V    80_D      V    80_D    12.818     0    0.642   0.643    15.014    0.000    0.000
LGA    F    81_D      F    81_D    10.710     0    0.540   0.547    12.918    0.119    0.087
LGA    T    82_D      T    82_D     8.663     0    0.654   0.527    11.131    5.595    3.810
LGA    N    83_D      N    83_D     3.063     0    0.698   1.289     5.004   42.143   40.655
LGA    K    84_D      K    84_D     6.212     0    0.147   1.027    11.727   21.190   11.481
LGA    E    85_D      E    85_D     8.258     0    0.139   0.523    12.837    3.690    1.640
LGA    L    86_D      L    86_D     8.751     0    0.051   1.309     8.993   10.833    6.845
LGA    E    87_D      E    87_D     8.426     0    0.098   0.784    15.000    2.262    1.005
LGA    D    88_D      D    88_D     8.782     0    0.350   0.376    12.293    3.214    3.274
LGA    I    89_D      I    89_D    10.474     0    0.682   1.414    12.071    0.714    0.357
LGA    Y    90_D      Y    90_D    10.927     0    0.219   1.098    12.767    0.000    0.000
LGA    D    91_D      D    91_D     7.596     0    0.198   1.240     9.979   14.048    7.381
LGA    L    92_D      L    92_D     1.440     0    0.569   1.394     5.218   61.548   48.214
LGA    S    93_D      S    93_D     2.901     0    0.138   0.742     5.106   57.500   51.032
LGA    N    94_D      N    94_D     1.713     0    0.256   1.232     3.476   72.976   66.071
LGA    K    95_D      K    95_D     2.844     0    0.036   0.694     9.425   59.048   37.937
LGA    E    96_D      E    96_D     2.851     0    0.078   0.960     3.467   59.048   58.201
LGA    E    97_D      E    97_D     1.899     0    0.027   0.699     5.434   70.833   58.466
LGA    T    98_D      T    98_D     1.897     0    0.024   0.098     2.177   68.810   67.075
LGA    K    99_D      K    99_D     2.425     0    0.026   0.980     8.168   64.762   47.407
LGA    E   100_D      E   100_D     2.042     0    0.000   1.200     5.541   68.810   56.243
LGA    V   101_D      V   101_D     2.086     0    0.071   0.861     2.858   70.833   67.143
LGA    L   102_D      L   102_D     2.014     0    0.050   0.287     2.314   64.762   66.786
LGA    K   103_D      K   103_D     2.037     0    0.048   0.431     2.557   68.810   67.566
LGA    K   104_D      K   104_D     1.839     0    0.020   0.957     5.548   70.833   58.783
LGA    F   105_D      F   105_D     1.863     0    0.028   0.151     2.162   72.857   70.649
LGA    K   106_D      K   106_D     1.873     0    0.026   1.063     7.057   72.857   53.598
LGA    E   107_D      E   107_D     1.524     0    0.075   1.266     4.294   77.143   63.968
LGA    K   108_D      K   108_D     1.411     0    0.032   1.190     5.749   79.286   64.392
LGA    V   109_D      V   109_D     1.948     0    0.037   0.043     2.095   70.833   70.544
LGA    N   110_D      N   110_D     1.966     0    0.024   0.049     2.517   72.857   67.857
LGA    Q   111_D      Q   111_D     1.377     0    0.087   1.056     4.100   81.548   75.661
LGA    F   112_D      F   112_D     1.525     0    0.030   0.246     3.131   75.000   65.065
LGA    Y   113_D      Y   113_D     1.941     0    0.012   0.998     4.350   72.857   66.865
LGA    R   114_D      R   114_D     1.631     0    0.020   1.014     3.584   75.000   65.931
LGA    H   115_D      H   115_D     0.877     0    0.038   1.089     4.683   88.214   67.905
LGA    A   116_D      A   116_D     1.060     0    0.001   0.006     1.356   83.690   83.238
LGA    F   117_D      F   117_D     1.527     0    0.111   1.286     4.621   75.000   68.398
LGA    D   118_D      D   118_D     1.458     0    0.051   0.060     1.735   79.286   77.143
LGA    I   119_D      I   119_D     0.751     0    0.026   0.090     1.338   85.952   89.405
LGA    I   120_D      I   120_D     2.147     0    0.071   0.690     3.949   64.881   61.190
LGA    N   121_D      N   121_D     2.909     0    0.020   0.066     3.556   57.262   53.690
LGA    K   122_D      K   122_D     2.514     0    0.041   0.703     4.772   59.048   51.534
LGA    Y   123_D      Y   123_D     2.745     0    0.050   0.709     5.364   60.952   44.405
LGA    G   124_D      G   124_D     2.221     0    0.084   0.084     2.393   66.786   66.786
LGA    L   125_D      L   125_D     2.034     0    0.481   0.438     3.502   67.024   63.214

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00    1059   1059  100.00               124
SUMMARY(RMSD_GDC):     6.648          6.569                  7.211           49.640   43.109

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     85    2.16    53.226    51.198     3.763

LGA_LOCAL      RMSD:   2.159  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.302  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   6.648  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.707835 * X  +   0.343479 * Y  +   0.617245 * Z  + -135.638962
  Y_new =   0.606747 * X  +  -0.743079 * Y  +  -0.282295 * Z  +  -6.455138
  Z_new =   0.361700 * X  +   0.574330 * Y  +  -0.734383 * Z  + 127.260399 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.708652 -0.370090  2.477888   [DEG:   40.6028  -21.2046  141.9725 ]
ZXZ:  1.141849  2.395553  0.562027   [DEG:   65.4231  137.2551   32.2018 ]
 
# END of job
