
#######################################################
#                                                     #
#                        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  116 (  967),  selected  114 , name one
# Molecule2: number of CA atoms  114 (  953),  selected  114 , 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:   113       3_A - 115_A       4.93     5.01
  LCS_AVERAGE:     98.86

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31       3_A - 33_A        1.91     5.99
  LCS_AVERAGE:     17.41

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26       6_A - 31_A        0.97     5.92
  LONGEST_CONTINUOUS_SEGMENT:    26       7_A - 32_A        0.98     6.08
  LCS_AVERAGE:     11.26

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  114
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     G     3_A     G     3_A     17   31  113     10   13   21   37   49   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     E     4_A     E     4_A     18   31  113     10   13   25   39   49   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     E     5_A     E     5_A     24   31  113     10   13   34   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     E     6_A     E     6_A     26   31  113     10   19   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     R     7_A     R     7_A     26   31  113     10   18   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     F     8_A     F     8_A     26   31  113     10   16   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     R     9_A     R     9_A     26   31  113     10   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     A    10_A     A    10_A     26   31  113     10   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     Y    11_A     Y    11_A     26   31  113     10   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     Y    12_A     Y    12_A     26   31  113      6   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     E    13_A     E    13_A     26   31  113     14   27   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     R    14_A     R    14_A     26   31  113     14   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     Y    15_A     Y    15_A     26   31  113     14   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     F    16_A     F    16_A     26   31  113     14   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     A    17_A     A    17_A     26   31  113     14   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     A    18_A     A    18_A     26   31  113     14   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     L    19_A     L    19_A     26   31  113     14   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     A    20_A     A    20_A     26   31  113     14   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     A    21_A     A    21_A     26   31  113     14   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     R    22_A     R    22_A     26   31  113     14   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     D    23_A     D    23_A     26   31  113      7   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     Y    24_A     Y    24_A     26   31  113     14   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     E    25_A     E    25_A     26   31  113     14   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     T    26_A     T    26_A     26   31  113      7   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     L    27_A     L    27_A     26   31  113      7   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     L    28_A     L    28_A     26   31  113      7   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     E    29_A     E    29_A     26   31  113      7   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     I    30_A     I    30_A     26   31  113     14   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     L    31_A     L    31_A     26   31  113     12   28   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     R    32_A     R    32_A     26   31  113      4   18   35   44   51   55   61   65   77   84   91   93   97  100  103  105  108  110  112  113 
LCS_GDT     E    33_A     E    33_A      4   31  113      4    4    5    8   15   22   43   52   56   66   79   87   94  100  102  105  106  109  110  113 
LCS_GDT     F    34_A     F    34_A      5    8  113      4    5    5    5    7    8   20   26   35   39   57   66   85   91   95   99  105  108  108  111 
LCS_GDT     G    35_A     G    35_A      5    8  113      4    5   15   28   36   46   53   61   69   73   82   90   97  100  103  105  108  110  112  113 
LCS_GDT     V    36_A     V    36_A      5    8  113      3    5    6   27   37   46   53   61   69   73   82   90   97  100  103  105  108  110  112  113 
LCS_GDT     A    37_A     A    37_A      5    8  113      3    5    5    7   10   16   45   57   63   71   78   83   93  100  103  105  108  110  112  113 
LCS_GDT     K    38_A     K    38_A      5    8  113      3    5    5    8   32   41   50   58   64   72   79   85   94  100  103  105  108  110  112  113 
LCS_GDT     L    39_A     L    39_A      4    8  113      3    4    7   25   36   43   50   59   67   73   79   89   97  100  103  105  108  110  112  113 
LCS_GDT     V    40_A     V    40_A      4    8  113      3    4    7   13   24   41   49   58   64   72   76   80   88   98  103  105  108  110  112  113 
LCS_GDT     L    41_A     L    41_A      4    8  113      3    4   19   28   39   46   54   61   69   73   76   89   97  100  103  105  108  110  112  113 
LCS_GDT     N    42_A     N    42_A      3   13  113      3   21   26   32   45   51   56   63   69   73   83   90   97  100  103  105  108  110  112  113 
LCS_GDT     G    43_A     G    43_A      4   13  113      3    5    6    9   10   36   49   52   61   68   75   86   88   98  102  105  108  110  112  113 
LCS_GDT     R    44_A     R    44_A      4   17  113      3    5   16   42   50   56   60   65   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     E    45_A     E    45_A     13   17  113      3    9   34   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     F    46_A     F    46_A     15   17  113      7   19   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     A    47_A     A    47_A     15   17  113      3   11   34   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     S    48_A     S    48_A     15   17  113      7   16   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     P    49_A     P    49_A     15   17  113      7   14   21   42   50   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     E    50_A     E    50_A     15   17  113      7   14   31   43   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     E    51_A     E    51_A     15   17  113     14   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     A    52_A     A    52_A     15   17  113      7   14   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     V    53_A     V    53_A     15   17  113      7   21   33   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     Q    54_A     Q    54_A     15   17  113      9   24   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     W    55_A     W    55_A     15   17  113      7   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     A    56_A     A    56_A     15   17  113      6   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     R    57_A     R    57_A     15   17  113      6   16   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     D    58_A     D    58_A     15   17  113      6   10   20   30   41   55   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     T    59_A     T    59_A     15   17  113      6   11   20   25   37   43   49   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     G    60_A     G    60_A     15   17  113      6   11   20   25   37   44   55   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     L    61_A     L    61_A      3   17  113      3    4    4   21   45   56   61   65   77   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     R    62_A     R    62_A      4    8  113      2    4    7   11   27   50   58   65   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     F    63_A     F    63_A      4    8  113      3    3    4   19   48   52   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     L    64_A     L    64_A      4   17  113      4    5    9   26   36   46   53   65   77   84   91   93   97  100  102  105  108  110  112  113 
LCS_GDT     R    65_A     R    65_A      4   17  113      4    5    9   26   36   50   58   68   78   85   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     L    66_A     L    66_A      4   17  113      4    5   24   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     I    67_A     I    67_A      4   17  113      4    4   14   25   35   51   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     R    68_A     R    68_A      5   17  113      4   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     E    69_A     E    69_A      5   17  113      4    5    9   14   36   54   61   65   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     R    70_A     R    70_A      5   17  113      6   25   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     Y    71_A     Y    71_A      5   17  113      4    8   35   45   51   56   61   65   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     E    72_A     E    72_A      5   17  113      4   10   35   45   51   56   61   67   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     D    73_A     D    73_A      4   17  113      7   18   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     G    74_A     G    74_A      4   17  113      3   19   35   45   51   56   61   67   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     V    75_A     V    75_A      4   17  113      3    4    9   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     Y    76_A     Y    76_A      6   17  113      4   29   35   45   51   56   61   67   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     T    77_A     T    77_A      6   17  113     10   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     V    78_A     V    78_A      6   17  113     10   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     E    79_A     E    79_A      6   17  113     12   29   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     D    80_A     D    80_A      6   17  113      4   20   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     I    81_A     I    81_A      6   16  113      6   26   35   45   51   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     V    82_A     V    82_A      5   16  113      4    4    8   13   30   55   61   65   77   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     S    83_A     S    83_A      5   16  113      4    4   19   37   50   56   61   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     R    84_A     R    84_A      5    9  113      4    4    6   11   11   14   26   40   56   69   78   92   97  100  103  105  108  110  112  113 
LCS_GDT     D    85_A     D    85_A      5   12  113      3    4    6   10   13   25   36   49   62   79   90   94   97  100  103  105  108  110  112  113 
LCS_GDT     D    86_A     D    86_A      6   19  113      3    4    6   11   13   21   33   49   60   76   85   93   97  100  103  105  108  110  112  113 
LCS_GDT     G    87_A     G    87_A     13   19  113      3    7   18   21   34   43   49   61   76   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     R    88_A     R    88_A     13   19  113      4    8   18   28   37   43   49   62   76   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     Y    89_A     Y    89_A     13   19  113      4   12   18   30   37   43   49   66   77   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     Y    90_A     Y    90_A     13   19  113      4   12   18   30   37   43   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     R    91_A     R    91_A     13   19  113      7   12   18   30   37   43   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     H    92_A     H    92_A     13   19  113      7   12   19   30   37   44   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     T    93_A     T    93_A     13   19  113      7   12   19   30   37   43   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     S    94_A     S    94_A     13   19  113      7   12   19   30   37   44   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     T    95_A     T    95_A     13   19  113      7   12   19   30   37   43   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     L    96_A     L    96_A     13   19  113      4   12   18   29   37   44   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     R    97_A     R    97_A     13   19  113      4   12   18   24   29   43   48   68   77   85   91   94   96  100  103  105  108  110  112  113 
LCS_GDT     R    98_A     R    98_A     13   19  113      4   12   18   21   26   32   42   68   77   85   90   94   96  100  103  105  108  110  112  113 
LCS_GDT     Q    99_A     Q    99_A     13   19  113      5   11   18   21   26   29   36   46   66   78   88   94   96   99  102  104  108  110  112  113 
LCS_GDT     P   100_A     P   100_A     13   19  113      5    8   13   21   26   29   33   39   50   66   80   89   96   99  101  104  105  110  112  113 
LCS_GDT     D   101_A     D   101_A      8   19  113      5    8   13   21   26   29   34   39   50   66   80   89   96   99  101  104  105  110  112  113 
LCS_GDT     G   102_A     G   102_A      8   19  113      5    7   13   20   26   29   37   51   69   80   90   94   96  100  102  104  108  110  112  113 
LCS_GDT     S   103_A     S   103_A      6   19  113      3    4    6    9   13   23   36   46   64   81   90   94   96  100  103  104  108  110  112  113 
LCS_GDT     Y   104_A     Y   104_A      5   19  113      3    4   13   20   26   29   56   68   77   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     V   105_A     V   105_A      5   19  113      3    4    7   15   26   29   42   68   77   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     Q   106_A     Q   106_A      6   17  113      5    7   18   24   37   43   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     Y   107_A     Y   107_A      7   17  113      4   13   20   30   37   44   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     S   108_A     S   108_A      7   17  113      7   12   20   29   37   44   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     Q   109_A     Q   109_A      7   17  113      5   12   18   24   35   43   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     L   110_A     L   110_A      7   12  113      7   12   18   30   37   44   60   68   78   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     E   111_A     E   111_A      7   12  113      6   11   18   24   34   43   60   68   77   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     L   112_A     L   112_A      7   12  113      4   10   18   24   34   43   60   68   77   86   91   94   97  100  103  105  108  110  112  113 
LCS_GDT     L   113_A     L   113_A      7   12  113      5    9   18   21   26   41   49   62   77   83   91   94   96  100  103  105  108  110  112  113 
LCS_GDT     G   114_A     G   114_A      7   12  113      3    5   10   15   23   29   33   38   56   65   85   92   96   99  102  104  108  110  112  113 
LCS_GDT     S   115_A     S   115_A      7   12  113      0    6   10   12   21   26   30   37   50   55   66   70   81   95  101  104  106  109  112  113 
LCS_GDT     G   116_A     G   116_A      3   12   79      0    3    5   14   21   26   32   37   38   44   51   62   78   84  101  102  105  109  112  113 
LCS_AVERAGE  LCS_A:  42.51  (  11.26   17.41   98.86 )

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     29     35     45     51     56     61     68     78     86     91     94     97    100    103    105    108    110    112    113 
GDT PERCENT_AT  12.28  25.44  30.70  39.47  44.74  49.12  53.51  59.65  68.42  75.44  79.82  82.46  85.09  87.72  90.35  92.11  94.74  96.49  98.25  99.12
GDT RMS_LOCAL    0.33   0.70   0.84   1.18   1.38   1.62   1.86   2.64   2.86   3.23   3.37   3.65   3.82   3.94   4.19   4.27   4.48   4.69   4.84   4.90
GDT RMS_ALL_AT   6.83   6.19   6.16   5.97   5.93   5.77   5.78   5.34   5.33   5.16   5.16   5.12   5.16   5.09   5.10   5.15   5.04   5.03   5.02   5.01

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  E    33_A      E    33_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  F    46_A      F    46_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  D    80_A      D    80_A
#   possible swapping detected:  Y    89_A      Y    89_A
#   possible swapping detected:  Y    90_A      Y    90_A
#   possible swapping detected:  Y   104_A      Y   104_A
#   possible swapping detected:  Y   107_A      Y   107_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A     2.562     0    0.560   0.560     4.947   52.619   52.619
LGA    E     4_A      E     4_A     2.595     0    0.089   0.984     4.612   60.952   50.582
LGA    E     5_A      E     5_A     2.104     0    0.036   0.119     2.321   68.810   68.360
LGA    E     6_A      E     6_A     1.710     0    0.026   1.008     4.280   72.857   67.143
LGA    R     7_A      R     7_A     1.825     0    0.041   1.182     7.025   72.857   51.212
LGA    F     8_A      F     8_A     1.975     0    0.014   1.243     6.469   70.833   49.567
LGA    R     9_A      R     9_A     1.767     0    0.027   1.361     8.150   72.857   52.078
LGA    A    10_A      A    10_A     1.877     0    0.044   0.050     2.300   68.810   69.619
LGA    Y    11_A      Y    11_A     2.438     0    0.072   1.424    11.519   64.762   33.492
LGA    Y    12_A      Y    12_A     2.100     0    0.074   0.135     2.186   68.810   70.833
LGA    E    13_A      E    13_A     2.008     0    0.054   0.943     2.372   68.810   69.259
LGA    R    14_A      R    14_A     1.991     0    0.027   0.616     4.698   72.976   52.771
LGA    Y    15_A      Y    15_A     1.379     0    0.051   0.183     2.114   83.810   76.587
LGA    F    16_A      F    16_A     0.190     0    0.049   0.443     1.853   95.238   86.623
LGA    A    17_A      A    17_A     1.214     0    0.041   0.043     1.709   83.690   81.524
LGA    A    18_A      A    18_A     1.166     0    0.038   0.046     1.247   83.690   83.238
LGA    L    19_A      L    19_A     0.567     0    0.050   0.114     1.348   85.952   90.595
LGA    A    20_A      A    20_A     1.397     0    0.075   0.073     1.913   77.143   76.286
LGA    A    21_A      A    21_A     2.011     0    0.172   0.170     2.179   70.833   69.619
LGA    R    22_A      R    22_A     1.603     0    0.088   1.207     6.628   77.143   55.368
LGA    D    23_A      D    23_A     1.441     0    0.076   0.269     2.411   81.548   76.190
LGA    Y    24_A      Y    24_A     0.578     0    0.033   1.487     8.677   95.238   57.937
LGA    E    25_A      E    25_A     0.857     0    0.063   1.313     5.593   88.214   65.767
LGA    T    26_A      T    26_A     0.816     0    0.023   0.905     2.505   90.476   82.041
LGA    L    27_A      L    27_A     0.489     0    0.050   1.416     2.950   90.714   80.060
LGA    L    28_A      L    28_A     1.569     0    0.073   1.362     4.659   72.976   63.095
LGA    E    29_A      E    29_A     2.120     0    0.032   0.769     4.835   64.881   58.730
LGA    I    30_A      I    30_A     2.774     0    0.061   0.155     3.088   57.262   57.202
LGA    L    31_A      L    31_A     2.666     0    0.604   0.751     2.770   57.143   60.000
LGA    R    32_A      R    32_A     4.704     0    0.634   1.288    10.231   23.929   10.606
LGA    E    33_A      E    33_A     9.528     0    0.037   1.182    12.452    2.619    1.164
LGA    F    34_A      F    34_A    11.941     0    0.378   1.453    17.939    0.000    0.000
LGA    G    35_A      G    35_A     8.472     0    0.627   0.627     9.186    2.976    2.976
LGA    V    36_A      V    36_A     8.309     0    0.032   0.125    10.235    4.286    3.265
LGA    A    37_A      A    37_A    10.161     0    0.659   0.592    11.681    0.357    0.286
LGA    K    38_A      K    38_A    10.062     0    0.161   0.776    11.769    0.238    0.317
LGA    L    39_A      L    39_A     9.096     0    0.081   1.075    10.089    0.833   11.786
LGA    V    40_A      V    40_A    10.871     0    0.614   1.391    15.260    0.000    0.000
LGA    L    41_A      L    41_A     9.147     0    0.166   0.567     9.624    6.548    4.881
LGA    N    42_A      N    42_A     7.588     0    0.570   0.591     8.952    4.881    8.690
LGA    G    43_A      G    43_A     9.751     0    0.706   0.706     9.751    4.405    4.405
LGA    R    44_A      R    44_A     5.052     0    0.101   1.267     7.406   24.286   23.290
LGA    E    45_A      E    45_A     4.048     0    0.139   0.972     7.911   48.810   32.698
LGA    F    46_A      F    46_A     2.756     0    0.030   0.280     3.301   55.357   56.580
LGA    A    47_A      A    47_A     2.666     0    0.566   0.516     4.339   52.143   51.714
LGA    S    48_A      S    48_A     2.986     0    0.094   0.185     4.702   60.952   52.063
LGA    P    49_A      P    49_A     3.144     0    0.042   0.068     3.652   51.786   48.163
LGA    E    50_A      E    50_A     3.394     0    0.028   1.092     8.584   51.786   31.640
LGA    E    51_A      E    51_A     2.512     0    0.038   1.011     6.123   62.976   48.783
LGA    A    52_A      A    52_A     1.775     0    0.035   0.055     2.154   72.857   71.238
LGA    V    53_A      V    53_A     2.353     0    0.047   1.025     5.518   66.786   53.673
LGA    Q    54_A      Q    54_A     2.686     0    0.039   1.128     7.257   62.857   44.021
LGA    W    55_A      W    55_A     1.900     0    0.042   0.191     3.426   68.810   62.279
LGA    A    56_A      A    56_A     1.170     0    0.055   0.079     1.860   79.286   79.714
LGA    R    57_A      R    57_A     2.201     0    0.032   1.655     6.417   59.405   52.381
LGA    D    58_A      D    58_A     4.850     0    0.082   0.130     7.036   29.524   22.976
LGA    T    59_A      T    59_A     4.883     0    0.124   0.135     5.463   31.548   33.197
LGA    G    60_A      G    60_A     4.160     0    0.399   0.399     4.200   41.905   41.905
LGA    L    61_A      L    61_A     5.165     0    0.577   0.788    11.662   32.262   17.738
LGA    R    62_A      R    62_A     4.478     0    0.572   1.501    11.300   35.952   21.905
LGA    F    63_A      F    63_A     3.898     0    0.167   1.218    10.287   45.238   22.381
LGA    L    64_A      L    64_A     4.091     0    0.616   1.149     7.727   43.690   27.798
LGA    R    65_A      R    65_A     3.411     0    0.109   1.332    11.944   50.119   27.186
LGA    L    66_A      L    66_A     2.064     0    0.247   1.117     5.821   55.952   47.679
LGA    I    67_A      I    67_A     2.852     0    0.562   0.900     8.203   62.976   40.357
LGA    R    68_A      R    68_A     2.584     0    0.211   1.118     8.355   56.429   29.913
LGA    E    69_A      E    69_A     4.823     0    0.093   0.963    13.238   45.476   21.481
LGA    R    70_A      R    70_A     2.628     0    0.126   1.270    12.811   41.310   24.762
LGA    Y    71_A      Y    71_A     4.721     0    0.113   1.143    16.195   49.048   18.056
LGA    E    72_A      E    72_A     3.972     0    0.072   1.077     8.662   37.262   28.148
LGA    D    73_A      D    73_A     3.737     0    0.109   0.371     4.453   40.238   43.452
LGA    G    74_A      G    74_A     4.133     0    0.717   0.717     4.226   41.905   41.905
LGA    V    75_A      V    75_A     2.543     0    0.230   0.280     5.084   53.690   43.469
LGA    Y    76_A      Y    76_A     3.968     0    0.348   0.561    14.525   48.333   18.492
LGA    T    77_A      T    77_A     3.324     0    0.077   0.144     4.618   53.810   47.619
LGA    V    78_A      V    78_A     2.406     0    0.171   0.212     2.882   60.952   64.966
LGA    E    79_A      E    79_A     2.486     0    0.242   0.880     7.192   62.857   45.026
LGA    D    80_A      D    80_A     2.317     0    0.128   1.029     3.470   62.857   62.202
LGA    I    81_A      I    81_A     2.766     0    0.068   0.581     5.043   60.952   50.893
LGA    V    82_A      V    82_A     5.476     0    0.119   1.162    10.089   27.738   16.735
LGA    S    83_A      S    83_A     4.937     0    0.055   0.153     8.986   17.619   30.873
LGA    R    84_A      R    84_A     9.587     0    0.591   1.357    17.512    2.976    1.082
LGA    D    85_A      D    85_A     9.155     0    0.314   1.219    10.938    1.548    1.190
LGA    D    86_A      D    86_A     9.761     0    0.312   1.197    10.128    0.833    0.655
LGA    G    87_A      G    87_A     7.565     0    0.578   0.578     7.897   11.190   11.190
LGA    R    88_A      R    88_A     6.755     0    0.050   1.196     7.486   14.405   14.589
LGA    Y    89_A      Y    89_A     5.788     0    0.060   0.285     9.869   24.048   11.865
LGA    Y    90_A      Y    90_A     4.091     0    0.129   0.320     5.684   34.286   35.119
LGA    R    91_A      R    91_A     4.052     0    0.130   0.882    10.698   45.119   24.589
LGA    H    92_A      H    92_A     3.379     0    0.062   0.443     3.780   46.667   50.952
LGA    T    93_A      T    93_A     3.592     0    0.103   1.066     5.915   48.333   45.238
LGA    S    94_A      S    94_A     3.348     0    0.082   0.618     4.447   46.667   45.635
LGA    T    95_A      T    95_A     3.866     0    0.132   1.102     6.877   41.786   38.435
LGA    L    96_A      L    96_A     3.527     0    0.163   1.271     3.972   43.333   51.786
LGA    R    97_A      R    97_A     5.577     0    0.149   1.139    11.595   22.857    9.870
LGA    R    98_A      R    98_A     6.126     0    0.074   0.663     8.066   13.333   39.957
LGA    Q    99_A      Q    99_A     9.151     0    0.084   1.221    14.493    2.619    1.217
LGA    P   100_A      P   100_A    11.687     0    0.075   0.299    13.425    0.000    0.000
LGA    D   101_A      D   101_A    11.874     0    0.281   0.932    14.352    0.000    0.000
LGA    G   102_A      G   102_A     8.543     0    0.708   0.708     9.523   12.024   12.024
LGA    S   103_A      S   103_A     7.519     0    0.088   0.634    11.527    6.190    4.206
LGA    Y   104_A      Y   104_A     5.393     0    0.089   1.402     6.243   27.500   30.675
LGA    V   105_A      V   105_A     5.476     0    0.071   0.162    10.009   27.738   18.299
LGA    Q   106_A      Q   106_A     3.725     0    0.594   1.148    11.263   46.786   24.868
LGA    Y   107_A      Y   107_A     3.498     0    0.050   1.385     8.017   46.667   42.540
LGA    S   108_A      S   108_A     3.653     0    0.074   0.800     4.136   41.786   44.603
LGA    Q   109_A      Q   109_A     3.810     0    0.062   0.175     4.870   45.000   39.418
LGA    L   110_A      L   110_A     3.339     0    0.064   1.222     5.425   50.000   50.774
LGA    E   111_A      E   111_A     4.080     0    0.102   0.391     6.768   40.238   31.111
LGA    L   112_A      L   112_A     4.366     0    0.111   1.116     6.985   29.405   28.214
LGA    L   113_A      L   113_A     5.987     0    0.745   0.756     6.539   19.524   22.976
LGA    G   114_A      G   114_A     8.605     0    0.472   0.472     8.955    3.810    3.810
LGA    S   115_A      S   115_A    10.997     0    0.442   0.473    11.282    0.357    0.238
LGA    G   116_A      G   116_A    12.573     0    0.258   0.258    15.002    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      114     456    456  100.00     953    953  100.00               114
SUMMARY(RMSD_GDC):     5.006          4.961                  6.013           44.103   37.660

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0     68    2.64    54.167    47.266     2.478

LGA_LOCAL      RMSD:   2.645  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.337  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   5.006  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.045635 * X  +  -0.840222 * Y  +  -0.540318 * Z  + -24.911196
  Y_new =  -0.526959 * X  +   0.479754 * Y  +  -0.701535 * Z  +   5.591792
  Z_new =   0.848665 * X  +   0.252711 * Y  +  -0.464656 * Z  +   0.465710 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.657182 -1.013456  2.643470   [DEG:  -94.9495  -58.0667  151.4597 ]
ZXZ: -0.656301  2.054042  1.281382   [DEG:  -37.6033  117.6880   73.4178 ]
 
# END of job
