
#######################################################
#                                                     #
#                        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  113 (  835),  selected  112 , name one
# Molecule2: number of CA atoms  112 (  831),  selected  112 , 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:   111       3_A - 113_A       4.90     5.23
  LCS_AVERAGE:     98.42

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      10_A - 38_A        1.95     6.05
  LCS_AVERAGE:     17.73

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      17_A - 31_A        0.99     7.52
  LCS_AVERAGE:      8.91

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
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     P     2_A     P     2_A      3   12   25      3    3    6    8   12   13   14   17   21   23   26   30   42   50   61   68   75   85   91   96 
LCS_GDT     M     3_A     M     3_A      5   12  111      3    4    5    8   12   13   13   16   21   23   26   30   42   50   61   68   74   85   91  100 
LCS_GDT     G     4_A     G     4_A      5   12  111      3    5    7    9   12   13   14   16   21   23   26   30   47   53   64   69   75   86   95  100 
LCS_GDT     L     5_A     L     5_A      5   12  111      3    5    7    9   12   13   14   17   21   23   39   52   55   62   65   73   79   93  104  105 
LCS_GDT     L     6_A     L     6_A      5   12  111      3    4    6    7   12   13   24   33   38   47   52   60   70   88   97  104  106  107  108  108 
LCS_GDT     P     7_A     P     7_A      6   12  111      3    5    7    9   12   13   24   29   38   45   52   58   69   88   97  104  106  107  108  108 
LCS_GDT     L     8_A     L     8_A      6   12  111      4    6    7    9   12   18   26   36   47   58   69   86   97  104  105  106  106  107  108  108 
LCS_GDT     K     9_A     K     9_A      6   12  111      4    6    7   15   25   40   51   68   83   94  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     V    10_A     V    10_A      6   29  111      4    6   18   33   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     T    11_A     T    11_A      6   29  111      4   12   23   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     H    12_A     H    12_A     10   29  111      5   10   22   29   40   56   77   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     T    13_A     T    13_A     10   29  111      5   10   22   32   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     T    14_A     T    14_A     10   29  111      5   10   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     L    15_A     L    15_A     10   29  111      5   10   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     C    16_A     C    16_A     10   29  111      5   10   22   35   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     W    17_A     W    17_A     15   29  111      5   10   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     G    18_A     G    18_A     15   29  111      3   10   21   35   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     S    19_A     S    19_A     15   29  111      5   13   25   35   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     T    20_A     T    20_A     15   29  111      4   17   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     K    21_A     K    21_A     15   29  111     12   17   25   34   48   64   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     L    22_A     L    22_A     15   29  111     12   17   25   35   48   64   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     R    23_A     R    23_A     15   29  111     12   17   22   31   41   55   70   84   92   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     T    24_A     T    24_A     15   29  111     12   17   25   34   46   57   77   87   92   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     D    25_A     D    25_A     15   29  111     12   17   25   34   46   62   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     V    26_A     V    26_A     15   29  111     12   17   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     R    27_A     R    27_A     15   29  111     12   17   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     K    28_A     K    28_A     15   29  111      6   17   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     S    29_A     S    29_A     15   29  111      6   17   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     M    30_A     M    30_A     15   29  111      6   16   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     Q    31_A     Q    31_A     15   29  111      6   16   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     V    32_A     V    32_A     11   29  111      7   16   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     K    33_A     K    33_A     10   29  111      7   16   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     N    34_A     N    34_A     10   29  111      3    9   18   33   47   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     T    35_A     T    35_A     13   29  111      3   10   20   34   47   64   79   87   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     A    36_A     A    36_A     13   29  111      7   16   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     D    37_A     D    37_A     13   29  111      4   11   23   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     K    38_A     K    38_A     13   29  111      4    8   16   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     R    39_A     R    39_A     13   27  111      4    8   14   25   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     L    40_A     L    40_A     13   27  111      4    7   14   21   41   63   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     V    41_A     V    41_A     13   19  111      4    8   14   27   43   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     I    42_A     I    42_A     13   19  111      4    8   14   27   40   63   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     R    43_A     R    43_A     13   19  111      4    8   14   27   43   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     L    44_A     L    44_A     13   19  111      4    8   14   27   42   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     G    45_A     G    45_A     13   19  111      4    8   14   28   47   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     I    46_A     I    46_A     13   19  111      4    8   14   28   47   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     Q    47_A     Q    47_A     13   19  111      4    8   18   28   46   63   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     G    48_A     G    48_A      8   19  111      3    7   14   19   34   51   69   86   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     P    49_A     P    49_A      6   19  111      3    5    7   15   20   31   43   54   68   80   89   98  101  103  105  106  106  107  108  108 
LCS_GDT     G    50_A     G    50_A      5   19  111      3    5   11   21   32   51   65   82   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     F    51_A     F    51_A      5   17  111      3    5   18   31   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     Q    52_A     Q    52_A      5   12  111      3    7   18   34   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     L    53_A     L    53_A      5   12  111      3    6   18   33   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     V    54_A     V    54_A      5    8  111      3   11   20   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     G    55_A     G    55_A      5    8  111      3   12   23   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     T    56_A     T    56_A      5    8  111      3    7   16   34   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     D    57_A     D    57_A      3    8  111      3    3    4    7    8   13   24   34   70   88   98  102  104  104  105  106  106  107  108  108 
LCS_GDT     S    58_A     S    58_A      4    8  111      3    6   10   23   31   45   63   83   88   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     S    59_A     S    59_A      4    6  111      3    9   11   17   28   37   44   67   81   93   99  102  104  104  105  106  106  107  108  108 
LCS_GDT     T    60_A     T    60_A      4    6  111      3    6   15   30   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     I    61_A     I    61_A      4    9  111      3    4    7   21   37   50   69   87   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     T    62_A     T    62_A      5    9  111      3    5    7   15   26   50   65   87   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     L    63_A     L    63_A      5   19  111      3    5   14   19   37   56   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     Q    64_A     Q    64_A     11   21  111      3   10   19   28   47   63   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     A    65_A     A    65_A     12   22  111      3    5    6   20   28   41   59   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     M    66_A     M    66_A     14   22  111      4   13   23   35   48   64   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     E    67_A     E    67_A     14   22  111      5   13   23   35   48   64   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     C    68_A     C    68_A     14   22  111      3   12   23   35   48   64   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     R    69_A     R    69_A     14   22  111      5   12   22   35   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     S    70_A     S    70_A     14   22  111      5   13   23   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     V    71_A     V    71_A     14   22  111      6   12   23   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     V    72_A     V    72_A     14   22  111      6   14   23   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     I    73_A     I    73_A     14   22  111      6   16   23   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     N    74_A     N    74_A     14   22  111      6   17   25   35   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     F    75_A     F    75_A     14   22  111      6   17   22   34   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     C    76_A     C    76_A     14   22  111     12   17   22   32   46   58   79   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     P    77_A     P    77_A     14   22  111      5   17   22   31   46   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     T    78_A     T    78_A     14   22  111      4    9   22   28   37   48   65   84   92   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     V    79_A     V    79_A     14   22  111      4   17   22   34   46   62   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     C    80_A     C    80_A     10   22  111     12   17   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     G    81_A     G    81_A     10   22  111      4    8   22   31   47   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     A    82_A     A    82_A     10   22  111      3    9   22   29   45   62   78   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     A    83_A     A    83_A     10   22  111      3    7   22   31   47   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     I    84_A     I    84_A      8   22  111      4   16   22   31   47   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     G    85_A     G    85_A      8   22  111      4   11   22   33   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     A    86_A     A    86_A      8   22  111      7   16   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     L    87_A     L    87_A      8   22  111      4   10   16   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     S    88_A     S    88_A      8   16  111      4   10   16   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     F    89_A     F    89_A      8   16  111      4    8   14   27   46   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     Y    90_A     Y    90_A      8   16  111      3    7   14   27   47   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     A    91_A     A    91_A      8   16  111      3    7   14   23   32   54   76   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     P    92_A     P    92_A      8   16  111      3    8   15   30   47   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     P    93_A     P    93_A      8   16  111      3    4   10   29   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     G    94_A     G    94_A      8   16  111      3   10   15   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     A    95_A     A    95_A      7   16  111      3    7   14   24   32   56   75   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     H    96_A     H    96_A      3    6  111      3    3   18   22   31   53   72   87   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     N    97_A     N    97_A      5   15  111      4   10   19   25   43   58   76   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     S    98_A     S    98_A      5   15  111      4    4   19   25   40   57   75   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     N    99_A     N    99_A      5   15  111      4    4    5   23   30   38   46   62   76   92   96  102  104  104  105  106  106  107  108  108 
LCS_GDT     Q   100_A     Q   100_A      5   15  111      4    4    7    9   13   19   25   51   67   85   94  100  104  104  105  106  106  107  108  108 
LCS_GDT     P   101_A     P   101_A     11   15  111      4   10   14   33   47   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     G   102_A     G   102_A     11   15  111      6   10   23   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     L   103_A     L   103_A     11   15  111      4   10   15   35   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     E   104_A     E   104_A     11   15  111      6   11   23   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     I   105_A     I   105_A     11   15  111      6   11   23   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     P   106_A     P   106_A     11   15  111      5   12   23   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     L   107_A     L   107_A     11   15  111      6   16   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     Y   108_A     Y   108_A     11   15  111      6   16   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     G   109_A     G   109_A     11   15  111      5   17   22   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     Y   110_A     Y   110_A     11   15  111     12   17   22   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     G   111_A     G   111_A     11   15  111     12   17   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     G   112_A     G   112_A     11   14  111     12   17   25   36   48   65   80   88   93   98  100  102  104  104  105  106  106  107  108  108 
LCS_GDT     S   113_A     S   113_A      3   13  111      3    3    4   10   12   35   56   81   92   98  100  102  104  104  105  106  106  107  108  108 
LCS_AVERAGE  LCS_A:  41.69  (   8.91   17.73   98.42 )

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     12     17     25     36     48     65     80     88     93     98    100    102    104    104    105    106    106    107    108    108 
GDT PERCENT_AT  10.71  15.18  22.32  32.14  42.86  58.04  71.43  78.57  83.04  87.50  89.29  91.07  92.86  92.86  93.75  94.64  94.64  95.54  96.43  96.43
GDT RMS_LOCAL    0.34   0.53   1.17   1.50   1.76   2.16   2.44   2.65   2.78   2.93   3.02   3.15   3.28   3.28   3.37   3.49   3.49   3.82   3.90   3.90
GDT RMS_ALL_AT  12.15  11.17   6.52   5.59   5.85   5.60   5.75   5.74   5.72   5.76   5.71   5.64   5.60   5.60   5.61   5.56   5.56   5.43   5.43   5.43

# Checking swapping
#   possible swapping detected:  D    25_A      D    25_A
#   possible swapping detected:  F    51_A      F    51_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  Y   108_A      Y   108_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_A      P     2_A    24.679     0    0.325   0.538    26.408    0.000    0.000
LGA    M     3_A      M     3_A    22.871     0    0.171   0.996    30.851    0.000    0.000
LGA    G     4_A      G     4_A    21.724     0    0.058   0.058    21.724    0.000    0.000
LGA    L     5_A      L     5_A    18.861     0    0.053   0.903    20.555    0.000    0.000
LGA    L     6_A      L     6_A    14.621     0    0.434   0.964    15.566    0.000    0.000
LGA    P     7_A      P     7_A    13.878     0    0.134   0.488    16.667    0.000    0.000
LGA    L     8_A      L     8_A    10.319     0    0.124   1.184    12.912    1.905    0.952
LGA    K     9_A      K     9_A     6.414     0    0.063   0.903     8.487   17.976   12.698
LGA    V    10_A      V    10_A     2.982     0    0.054   0.331     4.242   59.524   55.646
LGA    T    11_A      T    11_A     1.548     0    0.148   1.168     3.672   65.595   67.619
LGA    H    12_A      H    12_A     3.749     0    0.658   1.607    10.990   57.500   28.143
LGA    T    13_A      T    13_A     2.812     0    0.037   1.377     6.118   65.357   51.429
LGA    T    14_A      T    14_A     1.769     0    0.112   0.111     3.260   70.833   63.946
LGA    L    15_A      L    15_A     1.337     0    0.071   0.231     2.385   75.119   83.988
LGA    C    16_A      C    16_A     2.503     0    0.053   0.610     3.883   68.929   61.508
LGA    W    17_A      W    17_A     1.896     0    0.629   0.538     3.545   61.429   74.660
LGA    G    18_A      G    18_A     2.547     0    0.090   0.090     2.547   62.857   62.857
LGA    S    19_A      S    19_A     2.808     0    0.086   0.600     3.262   60.952   59.762
LGA    T    20_A      T    20_A     2.545     0    0.061   1.021     3.726   51.905   53.265
LGA    K    21_A      K    21_A     3.304     0    0.036   0.667     4.678   51.786   47.354
LGA    L    22_A      L    22_A     3.318     0    0.045   0.907     4.618   45.119   49.167
LGA    R    23_A      R    23_A     5.018     0    0.031   1.800    10.532   29.048   21.082
LGA    T    24_A      T    24_A     4.189     0    0.059   0.258     4.876   41.905   41.905
LGA    D    25_A      D    25_A     3.646     0    0.122   1.179     8.518   48.452   31.071
LGA    V    26_A      V    26_A     2.127     0    0.057   0.219     2.621   62.857   67.211
LGA    R    27_A      R    27_A     2.117     0    0.111   0.859     6.912   68.810   44.719
LGA    K    28_A      K    28_A     1.636     0    0.065   1.433     2.795   72.857   67.672
LGA    S    29_A      S    29_A     2.061     0    0.064   0.530     3.696   66.786   62.540
LGA    M    30_A      M    30_A     2.204     0    0.064   1.427     8.649   68.810   50.417
LGA    Q    31_A      Q    31_A     1.903     0    0.042   1.179     6.948   64.881   45.714
LGA    V    32_A      V    32_A     2.215     0    0.057   0.098     2.762   68.810   67.143
LGA    K    33_A      K    33_A     2.569     0    0.067   1.193     6.553   51.905   39.418
LGA    N    34_A      N    34_A     3.388     0    0.076   0.421     6.645   61.429   46.369
LGA    T    35_A      T    35_A     3.896     0    0.145   1.019     6.292   43.333   36.259
LGA    A    36_A      A    36_A     2.819     0    0.058   0.062     3.138   55.357   54.286
LGA    D    37_A      D    37_A     2.142     0    0.151   1.140     6.718   68.810   51.786
LGA    K    38_A      K    38_A     1.764     0    0.050   0.913     8.406   72.857   50.053
LGA    R    39_A      R    39_A     2.567     0    0.259   0.907     6.669   57.262   41.472
LGA    L    40_A      L    40_A     3.197     0    0.065   0.934     7.578   55.357   39.345
LGA    V    41_A      V    41_A     3.014     0    0.131   0.122     3.521   48.333   50.068
LGA    I    42_A      I    42_A     3.414     0    0.038   1.154     6.266   50.000   38.512
LGA    R    43_A      R    43_A     3.282     0    0.090   1.535     3.985   48.333   53.030
LGA    L    44_A      L    44_A     3.218     0    0.060   0.673     5.485   50.000   43.750
LGA    G    45_A      G    45_A     3.166     0    0.052   0.052     3.166   50.000   50.000
LGA    I    46_A      I    46_A     3.224     0    0.106   1.741     5.853   48.333   43.988
LGA    Q    47_A      Q    47_A     4.002     0    0.087   0.957     7.413   38.690   30.265
LGA    G    48_A      G    48_A     5.476     0    0.322   0.322     6.033   24.048   24.048
LGA    P    49_A      P    49_A     8.811     0    0.661   0.753    11.236    9.286    5.510
LGA    G    50_A      G    50_A     5.548     0    0.532   0.532     6.919   21.905   21.905
LGA    F    51_A      F    51_A     2.385     0    0.107   1.274     6.053   73.929   45.887
LGA    Q    52_A      Q    52_A     2.438     0    0.197   1.126    10.960   73.214   38.519
LGA    L    53_A      L    53_A     2.844     0    0.389   1.382     6.502   52.143   40.357
LGA    V    54_A      V    54_A     1.880     0    0.123   1.133     3.355   68.929   66.190
LGA    G    55_A      G    55_A     1.659     0    0.625   0.625     2.555   71.071   71.071
LGA    T    56_A      T    56_A     2.780     0    0.488   0.509     6.309   43.214   36.939
LGA    D    57_A      D    57_A     6.987     0    0.570   1.265    11.580   19.524   10.119
LGA    S    58_A      S    58_A     5.660     0    0.145   0.700     6.741   20.357   19.365
LGA    S    59_A      S    59_A     6.558     0    0.090   0.354     7.392   19.524   16.349
LGA    T    60_A      T    60_A     2.387     0    0.654   0.607     4.477   50.476   65.102
LGA    I    61_A      I    61_A     3.994     0    0.133   1.107     6.082   45.000   35.119
LGA    T    62_A      T    62_A     4.015     0    0.225   0.198     4.366   38.690   38.912
LGA    L    63_A      L    63_A     3.457     0    0.247   1.164     6.554   50.119   37.917
LGA    Q    64_A      Q    64_A     2.998     0    0.082   1.094     6.133   57.262   43.280
LGA    A    65_A      A    65_A     4.659     0    0.642   0.597     5.819   32.976   30.667
LGA    M    66_A      M    66_A     2.780     0    0.280   1.077     6.447   57.143   46.190
LGA    E    67_A      E    67_A     2.935     0    0.171   0.968     3.449   62.976   59.101
LGA    C    68_A      C    68_A     2.883     0    0.047   0.698     6.920   51.905   44.048
LGA    R    69_A      R    69_A     2.402     0    0.147   0.945     9.280   70.833   41.255
LGA    S    70_A      S    70_A     1.944     0    0.055   0.528     2.406   68.810   67.460
LGA    V    71_A      V    71_A     1.949     0    0.143   0.219     2.269   72.857   71.769
LGA    V    72_A      V    72_A     1.722     0    0.071   0.117     2.252   70.833   72.925
LGA    I    73_A      I    73_A     2.190     0    0.044   1.711     3.477   66.786   64.167
LGA    N    74_A      N    74_A     2.365     0    0.083   0.513     2.972   60.952   67.083
LGA    F    75_A      F    75_A     2.643     0    0.056   0.863     2.899   59.048   69.481
LGA    C    76_A      C    76_A     3.710     0    0.139   0.162     4.925   42.024   39.444
LGA    P    77_A      P    77_A     2.682     0    0.165   0.221     3.371   53.571   63.061
LGA    T    78_A      T    78_A     5.086     0    0.020   1.110     6.521   30.238   24.694
LGA    V    79_A      V    79_A     3.215     0    0.083   0.104     3.905   59.762   53.673
LGA    C    80_A      C    80_A     0.634     0    0.117   0.788     3.404   86.071   79.286
LGA    G    81_A      G    81_A     3.055     0    0.057   0.057     3.055   63.214   63.214
LGA    A    82_A      A    82_A     4.228     0    0.366   0.403     5.265   40.238   37.429
LGA    A    83_A      A    83_A     3.439     0    0.102   0.109     3.763   46.667   46.000
LGA    I    84_A      I    84_A     2.912     0    0.068   1.271     3.428   59.048   58.274
LGA    G    85_A      G    85_A     2.468     0    0.082   0.082     2.659   69.048   69.048
LGA    A    86_A      A    86_A     1.434     0    0.032   0.058     1.948   79.286   79.714
LGA    L    87_A      L    87_A     1.540     0    0.111   0.271     3.251   77.143   68.214
LGA    S    88_A      S    88_A     1.509     0    0.051   0.723     2.024   75.000   74.365
LGA    F    89_A      F    89_A     2.482     0    0.133   0.659     5.865   62.857   46.623
LGA    Y    90_A      Y    90_A     2.239     0    0.086   0.984     9.786   59.167   35.556
LGA    A    91_A      A    91_A     3.769     0    0.154   0.228     5.438   53.810   48.286
LGA    P    92_A      P    92_A     2.860     0    0.048   0.398     7.049   55.476   39.932
LGA    P    93_A      P    93_A     3.142     0    0.571   0.538     6.281   55.476   42.381
LGA    G    94_A      G    94_A     1.874     0    0.583   0.583     3.691   63.452   63.452
LGA    A    95_A      A    95_A     4.277     0    0.546   0.545     6.141   46.786   40.857
LGA    H    96_A      H    96_A     4.435     0    0.582   0.986     7.344   38.929   24.857
LGA    N    97_A      N    97_A     3.972     0    0.594   1.182     4.787   40.238   37.976
LGA    S    98_A      S    98_A     4.355     0    0.087   0.704     7.243   25.000   31.111
LGA    N    99_A      N    99_A     7.870     0    0.366   0.952     8.785    9.048    8.274
LGA    Q   100_A      Q   100_A     8.040     0    0.290   0.643    14.713   11.548    5.132
LGA    P   101_A      P   101_A     2.636     0    0.094   0.281     4.949   44.286   45.238
LGA    G   102_A      G   102_A     1.292     0    0.349   0.349     2.112   75.119   75.119
LGA    L   103_A      L   103_A     1.889     0    0.065   0.973     5.565   79.405   64.881
LGA    E   104_A      E   104_A     0.927     0    0.047   0.754     3.331   85.952   74.392
LGA    I   105_A      I   105_A     0.590     0    0.057   0.101     0.833   90.476   90.476
LGA    P   106_A      P   106_A     0.813     0    0.167   0.463     2.171   92.857   85.578
LGA    L   107_A      L   107_A     0.440     0    0.253   1.307     3.283   95.238   85.595
LGA    Y   108_A      Y   108_A     0.790     0    0.110   1.445     8.915   90.476   57.143
LGA    G   109_A      G   109_A     1.461     0    0.229   0.229     2.303   75.119   75.119
LGA    Y   110_A      Y   110_A     1.652     0    0.135   1.035    11.321   77.143   38.214
LGA    G   111_A      G   111_A     0.746     0    0.057   0.057     1.347   85.952   85.952
LGA    G   112_A      G   112_A     2.197     0    0.206   0.206     3.669   59.524   59.524
LGA    S   113_A      S   113_A     5.282     0    0.113   0.109     8.441   36.190   26.111

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     831    831  100.00               112
SUMMARY(RMSD_GDC):     5.216          5.120                  5.781           52.809   46.750

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  112    4.0     88    2.65    55.134    50.223     3.195

LGA_LOCAL      RMSD:   2.654  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.737  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   5.216  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.612474 * X  +  -0.697487 * Y  +   0.372005 * Z  +   2.160179
  Y_new =  -0.598751 * X  +  -0.102077 * Y  +   0.794404 * Z  + -58.272179
  Z_new =  -0.516113 * X  +  -0.709290 * Y  +  -0.480141 * Z  +  17.551710 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.774069  0.542307 -2.165872   [DEG:  -44.3509   31.0719 -124.0953 ]
ZXZ:  2.703640  2.071612 -2.512551   [DEG:  154.9072  118.6946 -143.9586 ]
 
# END of job
