
#######################################################
#                                                     #
#                        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:    81       3_A - 83_A        4.95     7.26
  LCS_AVERAGE:     61.90

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47       8_A - 54_A        1.98     8.50
  LONGEST_CONTINUOUS_SEGMENT:    47       9_A - 55_A        1.92     8.46
  LONGEST_CONTINUOUS_SEGMENT:    47      10_A - 56_A        1.95     8.38
  LCS_AVERAGE:     26.53

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20       3_A - 22_A        0.77     7.72
  LCS_AVERAGE:      9.35

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     20   29   81      8   13   20   22   27   30   40   52   58   63   65   74   81   88   95  101  105  107  109  111 
LCS_GDT     E     4_A     E     4_A     20   29   81     10   17   20   22   27   30   39   53   58   63   65   76   81   88   95  101  105  107  109  111 
LCS_GDT     E     5_A     E     5_A     20   29   81     10   18   20   22   28   39   48   53   58   63   68   77   81   88   95  101  105  107  109  111 
LCS_GDT     E     6_A     E     6_A     20   29   81     10   18   20   22   28   39   48   53   58   63   68   77   82   88   95  101  105  107  109  111 
LCS_GDT     R     7_A     R     7_A     20   29   81     10   18   20   22   28   35   47   53   58   64   70   77   82   88   95  101  105  107  109  111 
LCS_GDT     F     8_A     F     8_A     20   47   81     10   18   20   22   35   44   50   53   59   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     R     9_A     R     9_A     20   47   81     10   18   20   31   39   47   50   53   59   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     A    10_A     A    10_A     20   47   81     10   18   20   31   39   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     Y    11_A     Y    11_A     20   47   81     10   18   20   28   39   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     Y    12_A     Y    12_A     20   47   81     10   18   21   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     E    13_A     E    13_A     20   47   81     10   18   22   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     R    14_A     R    14_A     20   47   81      7   18   21   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     Y    15_A     Y    15_A     20   47   81      9   18   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     F    16_A     F    16_A     20   47   81      9   18   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     A    17_A     A    17_A     20   47   81      7   18   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     A    18_A     A    18_A     20   47   81      9   18   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     L    19_A     L    19_A     20   47   81      9   18   20   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     A    20_A     A    20_A     20   47   81      9   18   20   32   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     A    21_A     A    21_A     20   47   81      4   18   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     R    22_A     R    22_A     20   47   81      5   18   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     D    23_A     D    23_A     17   47   81      3    3   24   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     Y    24_A     Y    24_A     15   47   81      3   15   19   36   40   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     E    25_A     E    25_A     15   47   81      3   15   19   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     T    26_A     T    26_A     15   47   81      6   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     L    27_A     L    27_A     15   47   81      5   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     L    28_A     L    28_A     15   47   81      5   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     E    29_A     E    29_A     15   47   81      6   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     I    30_A     I    30_A     15   47   81      6   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     L    31_A     L    31_A     15   47   81      6   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     R    32_A     R    32_A     15   47   81      6   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     E    33_A     E    33_A     15   47   81      6   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     F    34_A     F    34_A     15   47   81      6   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     G    35_A     G    35_A     15   47   81      5   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     V    36_A     V    36_A      5   47   81      3   10   17   23   32   40   49   53   61   67   71   77   82   87   94  101  105  107  109  111 
LCS_GDT     A    37_A     A    37_A     12   47   81      3   10   12   24   40   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     K    38_A     K    38_A     12   47   81      3   10   22   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     L    39_A     L    39_A     12   47   81      5   15   24   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     V    40_A     V    40_A     12   47   81      3   15   24   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     L    41_A     L    41_A     12   47   81      4   10   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     N    42_A     N    42_A     12   47   81      4   10   17   32   41   47   50   53   61   67   71   77   82   88   94  101  105  107  109  111 
LCS_GDT     G    43_A     G    43_A     12   47   81      4   15   25   36   41   47   50   53   61   67   71   77   82   88   94  101  105  107  109  111 
LCS_GDT     R    44_A     R    44_A     12   47   81      4   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     E    45_A     E    45_A     12   47   81      3   12   21   34   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     F    46_A     F    46_A     12   47   81      3   13   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     A    47_A     A    47_A     12   47   81      4   12   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     S    48_A     S    48_A     12   47   81      6   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     P    49_A     P    49_A     12   47   81      6   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     E    50_A     E    50_A     12   47   81      6   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     E    51_A     E    51_A     12   47   81      6   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     A    52_A     A    52_A     12   47   81      6   14   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     V    53_A     V    53_A     12   47   81      7   15   25   36   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     Q    54_A     Q    54_A     12   47   81      7   13   21   34   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     W    55_A     W    55_A     12   47   81      7   13   21   34   41   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     A    56_A     A    56_A     12   47   81      7   12   17   21   30   41   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     R    57_A     R    57_A     12   46   81      7   12   17   23   29   37   46   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     D    58_A     D    58_A     12   33   81      7   12   17   21   29   36   41   48   57   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     T    59_A     T    59_A     12   20   81      7   12   16   20   25   33   41   48   56   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     G    60_A     G    60_A      8   19   81      3    4    8    8   12   16   21   27   33   48   60   68   75   84   90  101  105  107  109  111 
LCS_GDT     L    61_A     L    61_A      3   19   81      3    7   17   23   30   40   49   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     R    62_A     R    62_A      3   15   81      2    5   14   18   25   35   44   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     F    63_A     F    63_A      3    4   81      1    3    3   18   22   33   44   50   59   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     L    64_A     L    64_A      3    4   81      1    3    4    5    5   15   21   32   52   65   71   76   82   87   94  101  105  107  109  111 
LCS_GDT     R    65_A     R    65_A      3    4   81      2    3   12   24   40   45   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     L    66_A     L    66_A      3    4   81      6   11   15   24   29   40   46   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     I    67_A     I    67_A      3    4   81      3    3    3    3    4   21   30   44   56   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     R    68_A     R    68_A      3    4   81      3    3    3    3    7   28   42   53   58   63   65   74   81   88   95  101  105  107  109  111 
LCS_GDT     E    69_A     E    69_A      3    4   81      3    3    3   16   19   29   48   53   58   63   64   73   81   88   95  101  105  107  109  111 
LCS_GDT     R    70_A     R    70_A      3    3   81      3    4   11   20   33   42   48   53   58   63   64   73   81   88   95  101  105  107  109  111 
LCS_GDT     Y    71_A     Y    71_A      3    3   81      3    3    9   20   25   28   40   53   58   63   64   73   78   88   95  101  105  107  109  111 
LCS_GDT     E    72_A     E    72_A      3    4   81      3    3    3    4    5    6    9   14   24   26   35   44   48   65   69   76   97  100  105  109 
LCS_GDT     D    73_A     D    73_A      3    5   81      3    3    3    5    6    7   11   14   24   26   29   37   47   54   63   75   91   98  105  109 
LCS_GDT     G    74_A     G    74_A      4    5   81      3    4    4    5    6    7    9   15   24   28   40   47   62   69   81   93   99  104  108  111 
LCS_GDT     V    75_A     V    75_A      4    5   81      3    4    4    5    6   21   40   53   58   63   64   73   81   88   95  101  105  107  109  111 
LCS_GDT     Y    76_A     Y    76_A      5   23   81      5   10   18   29   40   47   50   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     T    77_A     T    77_A      5   23   81      3    7   14   25   32   41   49   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     V    78_A     V    78_A      5   23   81      3    9   18   23   32   40   49   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     E    79_A     E    79_A      5   23   81      3   10   16   23   29   36   44   51   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     D    80_A     D    80_A      5   23   81      4    8   13   19   29   34   36   46   51   56   64   75   82   87   94  101  105  107  109  111 
LCS_GDT     I    81_A     I    81_A      5   23   81      4    7   14   18   28   34   44   50   59   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     V    82_A     V    82_A     10   23   81      4   10   13   19   29   34   36   39   45   55   65   76   82   88   95  101  105  107  109  111 
LCS_GDT     S    83_A     S    83_A     10   23   81      4    4   10   15   24   33   36   38   42   55   60   73   82   87   95  101  105  107  109  111 
LCS_GDT     R    84_A     R    84_A     10   23   45      3   10   13   19   29   34   36   38   42   43   60   71   79   86   93  100  105  107  109  111 
LCS_GDT     D    85_A     D    85_A     10   23   45      4   10   13   19   29   34   36   38   42   43   52   64   73   82   88   97  102  106  109  111 
LCS_GDT     D    86_A     D    86_A     10   23   45      4   10   13   19   29   34   36   46   55   64   71   76   82   87   95  101  105  107  109  111 
LCS_GDT     G    87_A     G    87_A     10   23   45      4   10   13   19   29   34   36   40   51   62   68   76   82   88   95  101  105  107  109  111 
LCS_GDT     R    88_A     R    88_A     10   23   45      4   10   13   19   29   34   44   51   59   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     Y    89_A     Y    89_A     10   23   45      4   10   13   19   29   34   39   46   58   65   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     Y    90_A     Y    90_A     10   23   45      4   10   13   20   29   35   44   51   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     R    91_A     R    91_A     10   23   45      4   10   13   19   29   34   44   47   58   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     H    92_A     H    92_A      9   23   45      6   10   16   20   29   35   44   51   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     T    93_A     T    93_A      4   23   45      3   10   17   20   29   35   44   51   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     S    94_A     S    94_A      4   23   45      3    4    7   10   14   25   30   45   56   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     T    95_A     T    95_A      7   23   45      4    8   18   22   29   38   46   53   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     L    96_A     L    96_A      7   23   45      4    7   13   22   29   34   45   52   61   67   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     R    97_A     R    97_A      7   23   45      4    6   13   19   29   34   36   41   49   61   69   77   82   88   95  101  105  107  109  111 
LCS_GDT     R    98_A     R    98_A      7   23   45      4    6   13   19   29   34   36   41   47   54   65   73   81   88   95  101  105  107  109  111 
LCS_GDT     Q    99_A     Q    99_A      7   23   45      3    6   10   18   29   33   36   39   44   50   60   69   75   88   95  101  105  107  109  111 
LCS_GDT     P   100_A     P   100_A      7   18   45      3    6    8   12   18   22   32   38   42   46   60   67   71   81   90   97  101  105  109  111 
LCS_GDT     D   101_A     D   101_A      7   18   45      3    6   10   18   29   33   36   38   42   46   51   64   68   78   85   93  101  104  107  111 
LCS_GDT     G   102_A     G   102_A      7   15   45      3    5   13   19   29   34   36   39   43   47   60   67   72   81   90   97  101  107  109  111 
LCS_GDT     S   103_A     S   103_A      7   15   45      3    6   12   18   28   34   36   39   44   48   60   67   75   83   93  100  105  107  109  111 
LCS_GDT     Y   104_A     Y   104_A      6   15   45      3    5    7   11   21   34   35   39   43   47   60   67   75   86   95  101  105  107  109  111 
LCS_GDT     V   105_A     V   105_A      6   15   45      3    5    8   16   28   34   36   39   43   48   60   67   75   88   95  101  105  107  109  111 
LCS_GDT     Q   106_A     Q   106_A      4   15   45      4    6    9   14   28   34   36   39   43   47   60   67   78   88   95  101  105  107  109  111 
LCS_GDT     Y   107_A     Y   107_A      4   15   45      4    8   13   19   29   34   36   39   43   47   53   63   72   82   95  101  105  107  109  111 
LCS_GDT     S   108_A     S   108_A      7   15   45      4    5    8   14   25   34   36   39   44   50   66   76   82   88   95  101  105  107  109  111 
LCS_GDT     Q   109_A     Q   109_A      7   15   45      4    6   11   19   29   34   36   39   43   48   60   70   79   88   95  101  105  107  109  111 
LCS_GDT     L   110_A     L   110_A      7   15   45      3    6   10   19   29   34   36   39   47   56   71   77   82   88   95  101  105  107  109  111 
LCS_GDT     E   111_A     E   111_A      7   15   45      3    6   12   19   29   34   36   39   44   49   60   69   75   84   94  101  105  107  109  111 
LCS_GDT     L   112_A     L   112_A      7   15   45      3    8   12   16   29   34   36   41   47   53   61   76   82   88   95  101  105  107  109  111 
LCS_GDT     L   113_A     L   113_A      7   15   45      3    6   11   19   29   34   36   39   44   53   60   69   75   84   93  101  105  107  109  111 
LCS_GDT     G   114_A     G   114_A      7   13   45      3   10   13   19   29   34   36   41   48   54   61   76   82   88   95  101  105  107  109  111 
LCS_GDT     S   115_A     S   115_A      3   11   45      0    1    4    7    9   12   15   32   37   43   51   60   72   81   84   93  101  107  109  111 
LCS_GDT     G   116_A     G   116_A      0    3   44      0    0    3    3    5    5    8   14   14   18   20   28   29   40   41   42   47   51   85   95 
LCS_AVERAGE  LCS_A:  32.59  (   9.35   26.53   61.90 )

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     18     25     36     41     47     50     53     61     67     71     77     82     88     95    101    105    107    109    111 
GDT PERCENT_AT   8.77  15.79  21.93  31.58  35.96  41.23  43.86  46.49  53.51  58.77  62.28  67.54  71.93  77.19  83.33  88.60  92.11  93.86  95.61  97.37
GDT RMS_LOCAL    0.29   0.66   1.07   1.42   1.58   1.88   2.07   2.32   2.91   3.25   3.40   3.82   4.06   4.55   5.06   5.20   5.39   5.56   5.71   5.91
GDT RMS_ALL_AT   8.19   7.71   8.49   8.59   8.42   8.38   8.25   8.12   7.78   7.68   7.59   7.12   7.32   6.67   6.38   6.44   6.39   6.33   6.30   6.27

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  Y    11_A      Y    11_A
#   possible swapping detected:  Y    12_A      Y    12_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  D    23_A      D    23_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  E    51_A      E    51_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  D    80_A      D    80_A
#   possible swapping detected:  D    85_A      D    85_A
#   possible swapping detected:  D    86_A      D    86_A
#   possible swapping detected:  Y    89_A      Y    89_A
#   possible swapping detected:  D   101_A      D   101_A
#   possible swapping detected:  Y   104_A      Y   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A    11.361     0    0.452   0.452    13.387    0.119    0.119
LGA    E     4_A      E     4_A     9.722     0    0.072   1.168    11.304    2.024    0.899
LGA    E     5_A      E     5_A     8.287     0    0.032   0.262     9.122    5.595    4.127
LGA    E     6_A      E     6_A     8.602     0    0.024   0.641    10.658    4.405    2.169
LGA    R     7_A      R     7_A     7.772     0    0.041   1.403    14.870   10.595    4.286
LGA    F     8_A      F     8_A     5.779     0    0.051   0.289     6.967   23.095   19.437
LGA    R     9_A      R     9_A     5.359     0    0.053   1.223     8.346   27.738   16.883
LGA    A    10_A      A    10_A     5.067     0    0.042   0.042     5.556   30.238   28.476
LGA    Y    11_A      Y    11_A     3.978     0    0.061   0.699     9.521   45.476   23.770
LGA    Y    12_A      Y    12_A     2.673     0    0.066   1.425     6.537   61.190   54.841
LGA    E    13_A      E    13_A     2.788     0    0.082   0.869     7.377   62.976   41.058
LGA    R    14_A      R    14_A     1.980     0    0.069   0.976     7.628   72.976   46.883
LGA    Y    15_A      Y    15_A     1.123     0    0.113   0.473     2.357   86.190   80.278
LGA    F    16_A      F    16_A     1.060     0    0.101   0.929     7.015   81.429   52.684
LGA    A    17_A      A    17_A     1.261     0    0.063   0.059     1.435   83.690   83.238
LGA    A    18_A      A    18_A     0.541     0    0.047   0.056     1.442   88.333   88.762
LGA    L    19_A      L    19_A     1.893     0    0.059   0.074     3.092   67.262   67.083
LGA    A    20_A      A    20_A     2.762     0    0.078   0.078     3.326   57.262   57.238
LGA    A    21_A      A    21_A     1.402     0    0.223   0.236     1.780   77.143   78.000
LGA    R    22_A      R    22_A     2.408     0    0.185   0.878     4.738   64.762   57.749
LGA    D    23_A      D    23_A     2.999     0    0.592   1.361     5.525   44.762   59.167
LGA    Y    24_A      Y    24_A     3.075     0    0.386   1.560     8.718   50.119   35.595
LGA    E    25_A      E    25_A     2.879     0    0.080   1.267     4.291   59.167   52.857
LGA    T    26_A      T    26_A     1.461     0    0.075   0.122     1.957   79.286   84.082
LGA    L    27_A      L    27_A     1.762     0    0.153   0.243     2.493   75.000   72.917
LGA    L    28_A      L    28_A     1.301     0    0.083   1.396     3.745   86.190   76.905
LGA    E    29_A      E    29_A     0.432     0    0.083   1.193     5.025   95.238   69.101
LGA    I    30_A      I    30_A     0.283     0    0.063   0.348     0.750   95.238   94.048
LGA    L    31_A      L    31_A     0.994     0    0.047   0.095     1.726   85.952   81.548
LGA    R    32_A      R    32_A     1.113     0    0.036   1.639     8.021   81.548   56.667
LGA    E    33_A      E    33_A     1.515     0    0.044   0.990     5.226   72.976   59.894
LGA    F    34_A      F    34_A     1.705     0    0.086   1.161     7.710   70.833   47.100
LGA    G    35_A      G    35_A     1.311     0    0.601   0.601     1.788   77.143   77.143
LGA    V    36_A      V    36_A     3.527     0    0.362   0.514     7.742   52.143   36.327
LGA    A    37_A      A    37_A     3.086     0    0.653   0.585     5.644   55.714   48.857
LGA    K    38_A      K    38_A     2.370     0    0.124   0.592     4.420   60.952   52.698
LGA    L    39_A      L    39_A     2.182     0    0.087   0.226     2.302   68.810   66.786
LGA    V    40_A      V    40_A     2.361     0    0.113   0.169     3.152   59.167   61.565
LGA    L    41_A      L    41_A     2.310     0    0.118   1.118     2.698   66.786   68.095
LGA    N    42_A      N    42_A     2.863     0    0.409   0.526     6.148   67.143   46.548
LGA    G    43_A      G    43_A     1.563     0    0.120   0.120     1.976   72.857   72.857
LGA    R    44_A      R    44_A     1.048     0    0.124   0.914     5.299   86.190   69.221
LGA    E    45_A      E    45_A     1.658     0    0.056   0.605     6.987   71.071   45.503
LGA    F    46_A      F    46_A     0.900     0    0.095   0.205     3.693   90.476   73.983
LGA    A    47_A      A    47_A     1.241     0    0.135   0.163     1.963   81.548   79.810
LGA    S    48_A      S    48_A     1.814     0    0.150   0.240     3.212   83.810   73.730
LGA    P    49_A      P    49_A     1.572     0    0.098   0.115     3.126   84.048   71.565
LGA    E    50_A      E    50_A     1.219     0    0.028   1.202     2.717   83.690   75.979
LGA    E    51_A      E    51_A     0.894     0    0.066   0.892     3.777   92.976   77.143
LGA    A    52_A      A    52_A     0.610     0    0.035   0.042     1.063   90.595   90.571
LGA    V    53_A      V    53_A     0.298     0    0.151   0.134     1.835   90.833   86.871
LGA    Q    54_A      Q    54_A     1.778     0    0.065   1.263     3.264   71.071   70.529
LGA    W    55_A      W    55_A     1.660     0    0.096   1.063     7.650   65.357   45.544
LGA    A    56_A      A    56_A     3.456     0    0.052   0.063     4.858   43.929   43.810
LGA    R    57_A      R    57_A     4.341     0    0.057   0.877     5.919   33.333   33.333
LGA    D    58_A      D    58_A     5.506     0    0.060   0.188     6.993   20.833   22.917
LGA    T    59_A      T    59_A     6.227     0    0.075   0.075     8.551   12.143   22.041
LGA    G    60_A      G    60_A     9.219     0    0.319   0.319     9.219    4.643    4.643
LGA    L    61_A      L    61_A     4.065     0    0.600   0.641     6.230   27.976   29.702
LGA    R    62_A      R    62_A     5.554     0    0.621   1.317     8.369   27.738   16.364
LGA    F    63_A      F    63_A     6.640     0    0.663   1.576    12.293   11.667    5.281
LGA    L    64_A      L    64_A     6.414     0    0.057   0.367    10.886   21.548   12.202
LGA    R    65_A      R    65_A     2.757     0    0.621   1.272     8.770   65.595   37.273
LGA    L    66_A      L    66_A     4.612     0    0.638   0.992    11.215   37.262   20.595
LGA    I    67_A      I    67_A     4.359     0    0.068   0.087     9.163   40.357   24.345
LGA    R    68_A      R    68_A     6.091     0    0.592   1.219    15.879   21.786    8.182
LGA    E    69_A      E    69_A     8.669     0    0.622   0.529    13.917    4.643    2.063
LGA    R    70_A      R    70_A     8.417     0    0.704   1.224     8.898    3.810   17.056
LGA    Y    71_A      Y    71_A     9.648     0    0.565   1.034    19.134    0.476    0.198
LGA    E    72_A      E    72_A    15.996     0    0.589   1.387    19.922    0.000    0.000
LGA    D    73_A      D    73_A    16.663     0    0.092   0.202    19.558    0.000    0.000
LGA    G    74_A      G    74_A    14.681     0    0.689   0.689    14.973    0.000    0.000
LGA    V    75_A      V    75_A     9.004     0    0.117   1.058    11.733    8.929    5.510
LGA    Y    76_A      Y    76_A     2.805     0    0.667   1.174     9.820   49.405   31.071
LGA    T    77_A      T    77_A     3.550     0    0.145   1.040     7.179   45.238   38.776
LGA    V    78_A      V    78_A     3.979     0    0.129   0.142     5.727   33.571   38.027
LGA    E    79_A      E    79_A     6.277     0    0.123   0.245    10.764   15.833    8.995
LGA    D    80_A      D    80_A     9.044     0    0.117   1.245    12.991    7.262    3.631
LGA    I    81_A      I    81_A     7.561     0    0.164   0.280    11.103    3.214    6.190
LGA    V    82_A      V    82_A     9.366     0    0.056   1.078    11.881    5.238    2.993
LGA    S    83_A      S    83_A     9.958     0    0.219   0.545    12.000    0.476    0.317
LGA    R    84_A      R    84_A     9.876     0    0.131   1.030    11.522    0.238   11.299
LGA    D    85_A      D    85_A    11.756     0    0.053   0.282    13.696    0.000    0.000
LGA    D    86_A      D    86_A    10.049     0    0.068   0.244    10.349    0.000    5.774
LGA    G    87_A      G    87_A    11.750     0    0.198   0.198    11.750    0.000    0.000
LGA    R    88_A      R    88_A     8.524     0    0.518   1.262     9.264    2.143   14.848
LGA    Y    89_A      Y    89_A     9.376     0    0.201   0.367    18.238    6.071    2.024
LGA    Y    90_A      Y    90_A     7.204     0    0.120   1.380    15.374    4.405    2.659
LGA    R    91_A      R    91_A     7.865     0    0.165   1.408    13.381   11.190    4.459
LGA    H    92_A      H    92_A     6.577     0    0.131   1.125     7.448   13.333   12.667
LGA    T    93_A      T    93_A     6.557     0    0.175   1.196     9.305   15.238   13.401
LGA    S    94_A      S    94_A     7.246     0    0.469   0.469     9.459   14.524   10.159
LGA    T    95_A      T    95_A     4.432     0    0.103   1.093     8.674   37.143   27.143
LGA    L    96_A      L    96_A     4.883     0    0.126   0.938     8.241   30.595   25.774
LGA    R    97_A      R    97_A     8.340     0    0.143   1.136    11.681    3.810    1.905
LGA    R    98_A      R    98_A    11.081     0    0.042   1.049    14.281    0.119    0.043
LGA    Q    99_A      Q    99_A    15.905     0    0.093   1.205    18.401    0.000    0.000
LGA    P   100_A      P   100_A    19.919     0    0.676   1.184    21.477    0.000    0.000
LGA    D   101_A      D   101_A    21.833     0    0.180   1.216    24.827    0.000    0.000
LGA    G   102_A      G   102_A    18.584     0    0.021   0.021    19.189    0.000    0.000
LGA    S   103_A      S   103_A    15.689     0    0.114   0.573    17.152    0.000    0.000
LGA    Y   104_A      Y   104_A    13.687     0    0.468   1.461    15.202    0.000    0.000
LGA    V   105_A      V   105_A    12.817     0    0.577   0.533    15.516    0.000    0.000
LGA    Q   106_A      Q   106_A    10.556     0    0.155   1.089    11.681    0.000    2.804
LGA    Y   107_A      Y   107_A    10.429     0    0.071   1.294    13.288    1.429    0.476
LGA    S   108_A      S   108_A     8.363     0    0.595   0.571     9.160    2.976    2.937
LGA    Q   109_A      Q   109_A     8.537     0    0.054   0.538    11.166    6.190    3.122
LGA    L   110_A      L   110_A     7.184     0    0.093   1.153     9.156    5.833   19.048
LGA    E   111_A      E   111_A     9.700     0    0.097   0.945    11.137    1.548    0.847
LGA    L   112_A      L   112_A     9.150     0    0.102   0.985    11.554    0.714    1.964
LGA    L   113_A      L   113_A    12.844     0    0.667   0.979    15.999    0.000    0.000
LGA    G   114_A      G   114_A    12.298     0    0.571   0.571    14.010    0.000    0.000
LGA    S   115_A      S   115_A    18.509     0    0.594   0.541    19.919    0.000    0.000
LGA    G   116_A      G   116_A    22.374     0    0.127   0.127    23.026    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):     6.252          6.216                  6.901           36.189   31.474

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0     53    2.32    45.614    41.640     2.186

LGA_LOCAL      RMSD:   2.324  Number of atoms:   53  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   8.116  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   6.252  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.872315 * X  +   0.375565 * Y  +  -0.313078 * Z  + -11.712394
  Y_new =  -0.024679 * X  +   0.673317 * Y  +   0.738942 * Z  + -36.470997
  Z_new =   0.488322 * X  +  -0.636864 * Y  +   0.596613 * Z  + -32.321785 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.028284 -0.510165 -0.818019   [DEG:   -1.6205  -29.2303  -46.8690 ]
ZXZ: -2.740837  0.931523  2.487451   [DEG: -157.0384   53.3723  142.5205 ]
 
# END of job
