
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82      36_B - 117_B       4.90     5.75
  LCS_AVERAGE:     61.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63      55_B - 117_B       1.99     6.06
  LCS_AVERAGE:     36.93

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      83_B - 117_B       0.98     5.95
  LCS_AVERAGE:     14.77

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     T     2_C     T     2_B      3    7   45      3    3    4    7    9   10   11   20   57   79   84   92  100  102  102  104  106  106  108  109 
LCS_GDT     K     3_C     K     3_B      6    8   45      3    6    7    7    8   10   30   50   67   79   92   99  100  102  102  104  106  106  108  109 
LCS_GDT     S     4_C     S     4_B      6    8   45      3    6    7    7    9    9   11   20   67   79   93   99  100  102  102  104  106  106  108  109 
LCS_GDT     K     5_C     K     5_B      6   27   45      3    8   16   39   64   85   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     M     6_C     M     6_B      6   27   45      3    6    8   27   52   77   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L     7_C     L     7_B     13   27   45      4   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     S     8_C     S     8_B     13   27   45      8   41   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     N     9_C     N     9_B     13   27   45     17   46   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     I    10_C     I    10_B     13   27   45     10   43   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     V    11_C     V    11_B     13   27   45     17   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     I    12_C     I    12_B     13   27   45     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     Q    13_C     Q    13_B     13   27   45     20   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     E    14_C     E    14_B     15   27   45     17   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     V    15_C     V    15_B     15   27   45     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     K    16_C     K    16_B     15   27   45     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     F    17_C     F    17_B     15   27   45     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     A    18_C     A    18_B     15   27   45     18   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     I    19_C     I    19_B     15   27   45     11   48   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     E    20_C     E    20_B     15   27   45      6   32   59   76   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     D    21_C     D    21_B     15   27   45      4   24   40   58   81   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     Y    22_C     Y    22_B     15   27   45      4   18   47   69   81   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     C    23_C     C    23_B     15   27   45      6   33   59   76   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     A    24_C     A    24_B     15   27   45      8   48   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     I    25_C     I    25_B     15   27   45     16   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L    26_C     L    26_B     15   27   45     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     S    27_C     S    27_B     15   27   45     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     F    28_C     F    28_B     15   27   45     17   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     A    29_C     A    29_B     15   27   45     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     S    30_C     S    30_B      9   27   45     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     D    31_C     D    31_B      3   27   45      1   11   45   71   80   85   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     S    32_C     S    32_B      3    6   45      3    3    3   11   12   16   30   38   52   62   87   93   95   99  100  103  104  106  108  109 
LCS_GDT     Y    33_C     Y    33_B      4    6   45      4    4    5   11   12   16   24   38   52   62   70   87   89   95   97  101  102  104  106  107 
LCS_GDT     E    34_C     E    34_B      4    6   45      4    4    4    6    7    9   11   13   18   25   34   36   43   66   76   80   85   97   98   99 
LCS_GDT     V    35_C     V    35_B      4    6   45      4    4    5    9   12   17   24   43   52   62   70   87   89   93   97  101  102  104  106  107 
LCS_GDT     P    36_C     P    36_B      4   14   82      4    4    4    5    7   21   59   73   81   89   93   98  100  102  102  104  106  106  108  109 
LCS_GDT     E    37_C     E    37_B      9   14   82     11   48   68   78   82   88   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     Q    38_C     Q    38_B     11   14   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     Y    39_C     Y    39_B     11   14   82     13   50   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     F    40_C     F    40_B     11   14   82     13   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     I    41_C     I    41_B     11   14   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     I    42_C     I    42_B     11   14   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     T    43_C     T    43_B     11   14   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     R    44_C     R    44_B     11   14   82     16   51   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     S    45_C     S    45_B     11   14   82      6   12   26   57   73   83   87   93   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     T    46_C     T    46_B     11   14   82      6    8   16   30   56   76   83   88   93   95   98   99  100  102  102  104  106  106  108  109 
LCS_GDT     T    47_C     T    47_B     11   14   82      6    7   13   18   32   52   74   81   86   91   96   98   99  101  102  104  106  106  108  109 
LCS_GDT     E    48_C     E    48_B     11   14   82      6    7   13   13   21   33   48   69   82   84   88   92   96  100  102  103  106  106  108  109 
LCS_GDT     R    49_C     R    49_B      7   14   82      3    3    4   11   14   24   30   40   61   74   81   87   92   97  100  102  104  105  108  109 
LCS_GDT     S    50_C     S    50_B      3    4   82      3    3    3    3    6    9   11   14   15   18   25   29   35   40   51   56   78   85   92  105 
LCS_GDT     G    51_C     G    51_B      3    6   82      0    3    3    5    7    9   12   15   16   18   22   23   29   32   36   42   44   51   57   66 
LCS_GDT     G    52_C     G    52_B      4    6   82      4    4    4    5    7   10   12   15   16   18   21   22   26   31   38   42   44   46   52   60 
LCS_GDT     I    53_C     I    53_B      4    6   82      4    4    4    5    7    7   12   15   16   16   21   22   30   59   62   69   80  102  107  109 
LCS_GDT     P    54_C     P    54_B      4    6   82      4    4    4    5    8   11   16   30   52   67   84   91   97  100  102  104  106  106  108  109 
LCS_GDT     E    55_C     E    55_B      4   63   82      4    8   31   56   76   83   89   93   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     G    56_C     G    56_B      9   63   82      6   17   45   69   81   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     D    57_C     D    57_B      9   63   82     11   40   67   78   83   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     I    58_C     I    58_B      9   63   82     10   53   70   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     Y    59_C     Y    59_B      9   63   82     15   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L    60_C     L    60_B      9   63   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     E    61_C     E    61_B      9   63   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     S    62_C     S    62_B      9   63   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     N    63_C     N    63_B      9   63   82     12   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L    64_C     L    64_B      9   63   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     F    65_C     F    65_B      3   63   82      3    3   16   67   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L    66_C     L    66_B      6   63   82      3    7   16   32   41   53   87   93   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     D    67_C     D    67_B      6   63   82      3    8   31   46   59   84   91   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     F    68_C     F    68_B      6   63   82      3    9   31   60   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     N    69_C     N    69_B      6   63   82      3   38   47   73   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     P    70_C     P    70_B      6   63   82      3   26   43   70   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     Y    71_C     Y    71_B      6   63   82      6   37   60   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     G    72_C     G    72_B      5   63   82      3    4    5   29   47   72   83   93   96   97   99   99  100  101  102  104  104  106  107  109 
LCS_GDT     L    73_C     L    73_B      8   63   82      6   33   55   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     S    74_C     S    74_B      8   63   82      7   37   63   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     G    75_C     G    75_B      8   63   82     15   50   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     Y    76_C     Y    76_B      8   63   82      9   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L    77_C     L    77_B      8   63   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L    78_C     L    78_B      8   63   82     16   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     S    79_C     S    79_B      8   63   82     22   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     E    80_C     E    80_B      8   63   82     22   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     P    81_C     P    81_B      7   63   82      3    8   35   68   77   89   91   93   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     N    82_C     N    82_B     19   63   82      9   39   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     C    83_C     C    83_B     35   63   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     V    84_C     V    84_B     35   63   82     16   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     D    85_C     D    85_B     35   63   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L    86_C     L    86_B     35   63   82     16   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L    87_C     L    87_B     35   63   82     16   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     I    88_C     I    88_B     35   63   82     10   44   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     E    89_C     E    89_B     35   63   82     16   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     P    90_C     P    90_B     35   63   82     10   46   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     N    91_C     N    91_B     35   63   82      4   32   48   73   81   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     N    92_C     N    92_B     35   63   82     13   38   62   76   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     Y    93_C     Y    93_B     35   63   82     13   46   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     V    94_C     V    94_B     35   63   82     10   49   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     R    95_C     R    95_B     35   63   82     18   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L    96_C     L    96_B     35   63   82     19   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     R    97_C     R    97_B     35   63   82     18   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L    98_C     L    98_B     35   63   82     11   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     I    99_C     I    99_B     35   63   82     11   41   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     E   100_C     E   100_B     35   63   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     K   101_C     K   101_B     35   63   82      3   44   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     I   102_C     I   102_B     35   63   82     13   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     D   103_C     D   103_B     35   63   82     18   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     I   104_C     I   104_B     35   63   82     17   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L   105_C     L   105_B     35   63   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     E   106_C     E   106_B     35   63   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     V   107_C     V   107_B     35   63   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     E   108_C     E   108_B     35   63   82     21   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     N   109_C     N   109_B     35   63   82     23   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     H   110_C     H   110_B     35   63   82     21   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L   111_C     L   111_B     35   63   82     21   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     K   112_C     K   112_B     35   63   82     17   51   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     F   113_C     F   113_B     35   63   82     11   46   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     L   114_C     L   114_B     35   63   82     18   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     F   115_C     F   115_B     35   63   82     18   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     D   116_C     D   116_B     35   63   82     24   53   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_GDT     N   117_C     N   117_B     35   63   82     11   51   71   78   84   89   92   94   96   97   99   99  100  102  102  104  106  106  108  109 
LCS_AVERAGE  LCS_A:  37.68  (  14.77   36.93   61.34 )

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     24     53     71     78     84     89     92     94     96     97     99     99    100    102    102    104    106    106    108    109 
GDT PERCENT_AT  20.69  45.69  61.21  67.24  72.41  76.72  79.31  81.03  82.76  83.62  85.34  85.34  86.21  87.93  87.93  89.66  91.38  91.38  93.10  93.97
GDT RMS_LOCAL    0.35   0.62   0.89   1.02   1.30   1.49   1.66   1.76   1.86   1.92   2.06   2.06   2.17   2.82   2.64   2.99   3.45   3.30   3.80   3.84
GDT RMS_ALL_AT   5.81   5.83   5.89   5.88   5.97   5.99   5.99   6.01   5.97   5.93   5.98   5.98   5.93   5.98   5.96   5.96   5.76   5.87   5.68   5.69

# Checking swapping
#   possible swapping detected:  E    14_C      E    14_B
#   possible swapping detected:  Y    22_C      Y    22_B
#   possible swapping detected:  D    31_C      D    31_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  E    48_C      E    48_B
#   possible swapping detected:  E    55_C      E    55_B
#   possible swapping detected:  Y    71_C      Y    71_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    89_C      E    89_B
#   possible swapping detected:  F   113_C      F   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    13.285     0    0.655   0.900    14.288    0.000    0.000
LGA    K     3_C      K     3_B    11.715     0    0.377   0.651    16.256    1.786    0.794
LGA    S     4_C      S     4_B    10.796     0    0.302   0.355    15.417    0.833    0.556
LGA    K     5_C      K     5_B     4.681     0    0.086   0.905     6.468   29.286   35.661
LGA    M     6_C      M     6_B     4.854     0    0.057   0.894    11.465   37.976   21.488
LGA    L     7_C      L     7_B     1.812     0    0.631   1.442     7.796   75.119   47.440
LGA    S     8_C      S     8_B     1.386     0    0.193   0.250     2.000   81.429   77.222
LGA    N     9_C      N     9_B     0.830     0    0.052   0.891     3.634   83.810   70.893
LGA    I    10_C      I    10_B     1.112     0    0.086   0.729     4.413   88.214   75.179
LGA    V    11_C      V    11_B     0.566     0    0.090   0.106     1.430   92.857   89.252
LGA    I    12_C      I    12_B     0.452     0    0.073   0.106     0.720   95.238   95.238
LGA    Q    13_C      Q    13_B     0.892     0    0.025   1.176     4.587   90.476   73.280
LGA    E    14_C      E    14_B     0.839     0    0.034   0.584     1.650   90.476   86.508
LGA    V    15_C      V    15_B     0.548     0    0.050   1.131     2.713   90.476   82.313
LGA    K    16_C      K    16_B     0.745     0    0.016   0.757     3.122   90.476   83.016
LGA    F    17_C      F    17_B     0.885     0    0.054   0.088     1.195   90.476   87.186
LGA    A    18_C      A    18_B     0.624     0    0.036   0.062     0.831   90.476   90.476
LGA    I    19_C      I    19_B     0.843     0    0.049   0.084     1.254   85.952   85.952
LGA    E    20_C      E    20_B     2.385     0    0.119   0.214     5.548   57.738   45.556
LGA    D    21_C      D    21_B     4.092     0    0.362   0.344     7.317   48.571   33.095
LGA    Y    22_C      Y    22_B     3.437     0    0.075   0.131     4.736   51.905   43.690
LGA    C    23_C      C    23_B     2.159     0    0.060   0.151     2.599   66.905   68.968
LGA    A    24_C      A    24_B     1.007     0    0.007   0.016     1.472   83.690   83.238
LGA    I    25_C      I    25_B     0.760     0    0.041   0.472     2.122   90.476   86.131
LGA    L    26_C      L    26_B     0.401     0    0.070   0.140     0.729   97.619   96.429
LGA    S    27_C      S    27_B     0.397     0    0.036   0.116     1.080  100.000   95.317
LGA    F    28_C      F    28_B     0.786     0    0.137   0.160     1.321   92.857   88.052
LGA    A    29_C      A    29_B     0.951     0    0.038   0.039     1.043   90.476   88.667
LGA    S    30_C      S    30_B     1.092     0    0.629   0.786     3.690   79.286   73.651
LGA    D    31_C      D    31_B     3.883     0    0.664   0.836     8.546   27.381   23.810
LGA    S    32_C      S    32_B    11.029     0    0.586   0.861    13.687    1.190    0.794
LGA    Y    33_C      Y    33_B    13.148     0    0.619   1.080    15.353    0.000    4.484
LGA    E    34_C      E    34_B    18.700     0    0.073   1.003    26.064    0.000    0.000
LGA    V    35_C      V    35_B    13.402     0    0.304   0.263    16.506    0.357    0.204
LGA    P    36_C      P    36_B     8.380     0    0.361   0.372    12.186   13.095    7.483
LGA    E    37_C      E    37_B     2.423     0    0.600   0.494     5.193   59.881   57.778
LGA    Q    38_C      Q    38_B     1.034     0    0.088   0.530     2.411   81.429   75.026
LGA    Y    39_C      Y    39_B     1.235     0    0.052   1.223     7.199   81.429   57.421
LGA    F    40_C      F    40_B     1.181     0    0.071   1.212     4.916   85.952   68.831
LGA    I    41_C      I    41_B     0.866     0    0.040   0.121     1.475   88.214   85.952
LGA    I    42_C      I    42_B     0.982     0    0.108   0.222     1.380   90.476   85.952
LGA    T    43_C      T    43_B     1.134     0    0.045   0.175     1.423   81.429   82.721
LGA    R    44_C      R    44_B     1.685     0    0.059   0.471     3.593   61.905   75.195
LGA    S    45_C      S    45_B     5.236     0    0.017   0.063     6.609   30.595   25.476
LGA    T    46_C      T    46_B     7.626     0    0.034   0.084     9.355    6.190    5.850
LGA    T    47_C      T    47_B    10.553     0    0.143   1.104    13.195    0.357    0.204
LGA    E    48_C      E    48_B    13.328     0    0.685   0.608    14.639    0.000    0.000
LGA    R    49_C      R    49_B    14.693     0    0.265   1.104    16.261    0.000    0.000
LGA    S    50_C      S    50_B    19.477     0    0.543   0.823    22.649    0.000    0.000
LGA    G    51_C      G    51_B    23.480     0    0.675   0.675    23.480    0.000    0.000
LGA    G    52_C      G    52_B    22.326     0    0.624   0.624    22.792    0.000    0.000
LGA    I    53_C      I    53_B    17.577     0    0.044   0.736    21.718    0.000    0.000
LGA    P    54_C      P    54_B    12.096     0    0.054   0.067    16.442    0.238    0.136
LGA    E    55_C      E    55_B     5.094     0    0.673   1.188     7.520   37.024   37.884
LGA    G    56_C      G    56_B     3.316     0    0.675   0.675     3.316   51.786   51.786
LGA    D    57_C      D    57_B     2.125     0    0.036   0.178     3.351   70.952   65.119
LGA    I    58_C      I    58_B     1.859     0    0.081   1.016     3.274   68.810   71.250
LGA    Y    59_C      Y    59_B     1.723     0    0.076   0.198     2.660   72.857   67.540
LGA    L    60_C      L    60_B     1.323     0    0.035   1.364     3.173   79.286   73.393
LGA    E    61_C      E    61_B     1.481     0    0.041   0.127     3.258   81.429   69.735
LGA    S    62_C      S    62_B     1.465     0    0.065   0.153     2.153   72.976   72.937
LGA    N    63_C      N    63_B     1.570     0    0.013   1.104     3.048   77.143   73.214
LGA    L    64_C      L    64_B     1.169     0    0.650   1.356     3.195   75.357   68.274
LGA    F    65_C      F    65_B     2.842     0    0.565   1.049    10.545   52.262   23.420
LGA    L    66_C      L    66_B     5.762     0    0.562   1.449     9.986   30.595   18.750
LGA    D    67_C      D    67_B     4.574     0    0.360   1.257     9.215   34.524   22.857
LGA    F    68_C      F    68_B     2.971     0    0.715   1.141     3.747   55.595   58.268
LGA    N    69_C      N    69_B     2.711     0    0.216   0.960     4.321   59.167   53.036
LGA    P    70_C      P    70_B     2.903     0    0.666   0.710     4.200   55.952   51.633
LGA    Y    71_C      Y    71_B     2.550     0    0.583   0.456    11.514   59.048   27.063
LGA    G    72_C      G    72_B     5.197     0    0.478   0.478     5.197   35.952   35.952
LGA    L    73_C      L    73_B     2.433     0    0.094   0.363     3.471   57.381   63.095
LGA    S    74_C      S    74_B     2.208     0    0.056   0.070     2.214   68.810   68.810
LGA    G    75_C      G    75_B     1.346     0    0.132   0.132     1.758   77.143   77.143
LGA    Y    76_C      Y    76_B     1.079     0    0.150   1.307     9.182   77.262   52.143
LGA    L    77_C      L    77_B     0.880     0    0.038   0.211     0.928   90.476   90.476
LGA    L    78_C      L    78_B     0.903     0    0.064   0.915     4.933   88.214   71.845
LGA    S    79_C      S    79_B     0.636     0    0.264   0.653     2.600   84.048   80.635
LGA    E    80_C      E    80_B     0.658     0    0.046   1.393     6.693   67.024   48.360
LGA    P    81_C      P    81_B     3.995     0    0.611   0.848     6.508   42.024   33.401
LGA    N    82_C      N    82_B     1.282     0    0.128   0.625     4.714   83.690   66.548
LGA    C    83_C      C    83_B     0.681     0    0.085   0.764     2.058   90.476   86.190
LGA    V    84_C      V    84_B     0.672     0    0.038   0.065     1.287   95.238   89.320
LGA    D    85_C      D    85_B     0.690     0    0.025   0.962     3.146   88.214   80.952
LGA    L    86_C      L    86_B     1.065     0    0.064   1.347     4.700   88.214   71.607
LGA    L    87_C      L    87_B     0.955     0    0.048   1.050     2.622   81.548   75.298
LGA    I    88_C      I    88_B     1.341     0    0.585   0.630     3.937   72.024   76.786
LGA    E    89_C      E    89_B     1.273     0    0.053   0.913     2.834   79.286   69.524
LGA    P    90_C      P    90_B     1.332     0    0.630   0.641     2.530   73.214   69.660
LGA    N    91_C      N    91_B     2.802     0    0.100   1.256     8.175   59.048   38.452
LGA    N    92_C      N    92_B     2.025     0    0.058   0.095     2.676   68.810   65.833
LGA    Y    93_C      Y    93_B     0.852     0    0.077   1.290     8.286   85.952   53.929
LGA    V    94_C      V    94_B     0.914     0    0.044   0.199     1.901   90.476   85.374
LGA    R    95_C      R    95_B     0.570     0    0.054   0.263     2.485   95.238   82.771
LGA    L    96_C      L    96_B     0.333     0    0.052   0.108     0.937  100.000   95.238
LGA    R    97_C      R    97_B     0.254     0    0.014   1.036     2.365   97.619   81.385
LGA    L    98_C      L    98_B     0.781     0    0.192   0.222     1.825   86.190   86.071
LGA    I    99_C      I    99_B     1.351     0    0.196   1.393     6.775   86.190   60.595
LGA    E   100_C      E   100_B     0.796     0    0.120   0.627     4.705   85.952   68.095
LGA    K   101_C      K   101_B     1.256     0    0.147   0.270     2.183   79.524   84.603
LGA    I   102_C      I   102_B     0.653     0    0.029   0.095     1.088   92.857   90.536
LGA    D   103_C      D   103_B     0.288     0    0.066   0.183     0.901  100.000   98.810
LGA    I   104_C      I   104_B     0.632     0    0.050   0.889     2.040   92.857   82.917
LGA    L   105_C      L   105_B     1.095     0    0.063   1.419     5.429   85.952   66.488
LGA    E   106_C      E   106_B     0.905     0    0.042   0.623     3.637   90.476   82.275
LGA    V   107_C      V   107_B     0.456     0    0.011   0.056     0.616   92.857   94.558
LGA    E   108_C      E   108_B     0.901     0    0.028   0.830     2.631   85.952   80.794
LGA    N   109_C      N   109_B     1.227     0    0.021   0.153     1.508   81.429   80.357
LGA    H   110_C      H   110_B     1.103     0    0.044   0.087     1.241   83.690   85.048
LGA    L   111_C      L   111_B     1.024     0    0.021   0.122     1.315   81.429   85.952
LGA    K   112_C      K   112_B     1.843     0    0.088   0.824     5.544   70.833   53.492
LGA    F   113_C      F   113_B     2.074     0    0.085   1.151     4.758   66.786   60.866
LGA    L   114_C      L   114_B     1.361     0    0.064   1.387     3.525   79.286   71.607
LGA    F   115_C      F   115_B     1.323     0    0.229   1.245     5.230   77.262   66.797
LGA    D   116_C      D   116_B     0.747     0    0.087   0.752     3.318   85.952   74.881
LGA    N   117_C      N   117_B     1.835     0    0.286   1.110     6.447   58.929   47.917

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):     5.526          5.481                  5.702           64.841   58.639

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     94    1.76    70.905    65.282     5.049

LGA_LOCAL      RMSD:   1.762  Number of atoms:   94  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.012  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   5.526  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.331305 * X  +   0.139118 * Y  +   0.933211 * Z  + -37.085392
  Y_new =  -0.507174 * X  +   0.807769 * Y  +  -0.300473 * Z  + -13.197438
  Z_new =  -0.795620 * X  +  -0.572848 * Y  +  -0.197061 * Z  +  20.281588 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.149444  0.920031 -1.902117   [DEG: -123.1541   52.7139 -108.9833 ]
ZXZ:  1.259301  1.769155 -2.194821   [DEG:   72.1526  101.3651 -125.7540 ]
 
# END of job
