
#######################################################
#                                                     #
#                        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:   115       3_B - 117_B       4.93     5.12
  LCS_AVERAGE:     98.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60      56_B - 115_B       1.99     5.71
  LCS_AVERAGE:     35.47

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25       7_B - 31_B        0.99     5.79
  LCS_AVERAGE:     11.88

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    4   48      3    3    3    3    6   19   21   24   29   29   34   79   88   97   99  103  104  107  108  110 
LCS_GDT     K     3_C     K     3_B      6    8  115      3    4    6    6    6    8   15   20   47   63   78   84   95  101  102  105  106  107  109  110 
LCS_GDT     S     4_C     S     4_B      6   28  115      3    5    6    6   20   42   50   65   71   78   98  100  102  104  105  106  106  108  109  110 
LCS_GDT     K     5_C     K     5_B      6   28  115      3    5   22   44   64   77   90   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     M     6_C     M     6_B      6   28  115      3    5   10   28   48   68   86   93   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L     7_C     L     7_B     25   28  115     19   36   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     S     8_C     S     8_B     25   28  115     12   33   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     N     9_C     N     9_B     25   28  115     16   34   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     I    10_C     I    10_B     25   28  115     12   34   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     V    11_C     V    11_B     25   28  115     16   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     I    12_C     I    12_B     25   28  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     Q    13_C     Q    13_B     25   28  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     E    14_C     E    14_B     25   28  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     V    15_C     V    15_B     25   28  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     K    16_C     K    16_B     25   28  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     F    17_C     F    17_B     25   28  115     19   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     A    18_C     A    18_B     25   28  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     I    19_C     I    19_B     25   28  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     E    20_C     E    20_B     25   28  115     14   34   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     D    21_C     D    21_B     25   28  115      4   18   48   71   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     Y    22_C     Y    22_B     25   28  115      4   30   45   65   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     C    23_C     C    23_B     25   28  115     13   34   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     A    24_C     A    24_B     25   28  115     19   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     I    25_C     I    25_B     25   28  115     19   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L    26_C     L    26_B     25   28  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     S    27_C     S    27_B     25   28  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     F    28_C     F    28_B     25   28  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     A    29_C     A    29_B     25   28  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     S    30_C     S    30_B     25   28  115     19   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     D    31_C     D    31_B     25   28  115      3   17   40   63   76   86   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     S    32_C     S    32_B      6    9  115      4    5    6    8   10   17   26   46   76   86   98  100  103  104  105  106  107  108  109  110 
LCS_GDT     Y    33_C     Y    33_B      6    9  115      4    5    6    8   10   17   26   31   67   86   93   99  102  104  105  106  107  108  109  110 
LCS_GDT     E    34_C     E    34_B      6    9  115      4    5    6    8   10   16   18   26   36   50   56   79   95   98  104  106  107  108  108  110 
LCS_GDT     V    35_C     V    35_B      6    9  115      4    5    7   10   25   31   44   71   86   94   98  100  103  104  105  106  107  108  109  110 
LCS_GDT     P    36_C     P    36_B      6   14  115      5   10   29   57   76   83   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     E    37_C     E    37_B     10   14  115      6   33   59   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     Q    38_C     Q    38_B     10   14  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     Y    39_C     Y    39_B     10   14  115      8   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     F    40_C     F    40_B     10   14  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     I    41_C     I    41_B     10   14  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     I    42_C     I    42_B     10   14  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     T    43_C     T    43_B     10   14  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     R    44_C     R    44_B     10   14  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     S    45_C     S    45_B     10   14  115      4   10   26   52   70   82   89   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     T    46_C     T    46_B     10   14  115      4   10   20   44   63   73   85   92   97  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     T    47_C     T    47_B      6   14  115      3    6    9   17   33   52   64   80   87   92   98  100  102  103  105  106  107  108  109  110 
LCS_GDT     E    48_C     E    48_B      6   14  115      3    6   12   13   19   32   51   68   79   85   91   95   99  102  105  106  107  108  109  110 
LCS_GDT     R    49_C     R    49_B      6   14  115      3    4   10   16   21   26   36   51   68   79   87   91   97  100  105  106  106  108  109  110 
LCS_GDT     S    50_C     S    50_B      4   10  115      3    3    4    7    9   13   15   18   24   30   35   46   51   58   70   85   95  100  104  108 
LCS_GDT     G    51_C     G    51_B      4    6  115      3    3    4    5    6    7    9   13   18   19   22   25   30   39   42   47   61   78   84   90 
LCS_GDT     G    52_C     G    52_B      4    6  115      3    3    5    6    6    7   10   13   18   26   30   45   51   58   81   85   95  103  104  109 
LCS_GDT     I    53_C     I    53_B      4    5  115      3    3    5    6    6    7    9   12   16   19   23   25   63   76   81   85   95  106  108  110 
LCS_GDT     P    54_C     P    54_B      4    5  115      3    3    5    6    7   10   11   12   27   43   70   87   95  102  105  106  106  108  109  110 
LCS_GDT     E    55_C     E    55_B      4   15  115      3    6   25   52   70   81   89   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     G    56_C     G    56_B      9   60  115      4   20   44   64   80   87   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     D    57_C     D    57_B     10   60  115     14   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     I    58_C     I    58_B     10   60  115      4   38   59   70   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     Y    59_C     Y    59_B     10   60  115     14   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L    60_C     L    60_B     10   60  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     E    61_C     E    61_B     10   60  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     S    62_C     S    62_B     10   60  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     N    63_C     N    63_B     10   60  115     10   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L    64_C     L    64_B     10   60  115      9   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     F    65_C     F    65_B     10   60  115     10   33   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L    66_C     L    66_B     10   60  115      6   33   59   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     D    67_C     D    67_B      9   60  115      4   22   31   55   77   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     F    68_C     F    68_B      9   60  115      5   22   33   55   77   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     N    69_C     N    69_B      9   60  115     11   28   44   70   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     P    70_C     P    70_B      4   60  115      4   12   33   67   80   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     Y    71_C     Y    71_B      4   60  115     11   33   53   71   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     G    72_C     G    72_B      9   60  115      4    9   18   46   70   83   90   94   97  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L    73_C     L    73_B     16   60  115      8   27   53   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     S    74_C     S    74_B     16   60  115      9   28   53   71   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     G    75_C     G    75_B     16   60  115      5   31   53   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     Y    76_C     Y    76_B     16   60  115      6   31   53   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L    77_C     L    77_B     16   60  115      8   33   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L    78_C     L    78_B     16   60  115      8   34   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     S    79_C     S    79_B     16   60  115     19   36   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     E    80_C     E    80_B     16   60  115     19   36   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     P    81_C     P    81_B     16   60  115      4   19   40   72   80   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     N    82_C     N    82_B     16   60  115      4   29   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     C    83_C     C    83_B     16   60  115     10   36   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     V    84_C     V    84_B     16   60  115     19   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     D    85_C     D    85_B     16   60  115     19   36   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L    86_C     L    86_B     16   60  115     19   36   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L    87_C     L    87_B     16   60  115     13   36   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     I    88_C     I    88_B     16   60  115     12   31   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     E    89_C     E    89_B     16   60  115     12   26   53   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     P    90_C     P    90_B     16   60  115      3   23   46   70   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     N    91_C     N    91_B     16   60  115      3   18   35   49   73   85   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     N    92_C     N    92_B     16   60  115      9   28   44   70   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     Y    93_C     Y    93_B     16   60  115     16   37   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     V    94_C     V    94_B     16   60  115     14   33   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     R    95_C     R    95_B     16   60  115     14   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L    96_C     L    96_B     16   60  115     17   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     R    97_C     R    97_B     16   60  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L    98_C     L    98_B     16   60  115     21   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     I    99_C     I    99_B     16   60  115     12   30   51   70   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     E   100_C     E   100_B     13   60  115      3    3   31   63   80   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     K   101_C     K   101_B     13   60  115      4   38   58   70   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     I   102_C     I   102_B     13   60  115      9   38   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     D   103_C     D   103_B     13   60  115      9   26   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     I   104_C     I   104_B     13   60  115      9   27   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L   105_C     L   105_B     13   60  115      9   27   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     E   106_C     E   106_B     13   60  115      9   22   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     V   107_C     V   107_B     13   60  115      9   19   57   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     E   108_C     E   108_B     13   60  115      9   22   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     N   109_C     N   109_B     13   60  115      9   19   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     H   110_C     H   110_B     13   60  115      9   12   47   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L   111_C     L   111_B     13   60  115      9   12   40   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     K   112_C     K   112_B     13   60  115      4   15   60   72   81   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     F   113_C     F   113_B      4   60  115      4    4    4   48   68   84   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     L   114_C     L   114_B      4   60  115      4    8   42   67   80   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     F   115_C     F   115_B      4   60  115      3   10   32   58   77   88   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     D   116_C     D   116_B      4   57  115      3    5   15   46   70   83   91   96   98  100  101  101  103  104  105  106  107  108  109  110 
LCS_GDT     N   117_C     N   117_B      4   41  115      3    6   21   47   69   81   88   94   97  100  101  101  103  104  105  106  107  108  109  110 
LCS_AVERAGE  LCS_A:  48.66  (  11.88   35.47   98.64 )

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     21     38     60     72     81     88     91     96     98    100    101    101    103    104    105    106    107    108    109    110 
GDT PERCENT_AT  18.10  32.76  51.72  62.07  69.83  75.86  78.45  82.76  84.48  86.21  87.07  87.07  88.79  89.66  90.52  91.38  92.24  93.10  93.97  94.83
GDT RMS_LOCAL    0.30   0.61   1.04   1.25   1.44   1.64   1.74   1.96   2.07   2.16   2.23   2.23   2.56   2.75   3.12   3.15   3.28   3.43   3.54   3.70
GDT RMS_ALL_AT   5.43   5.37   5.42   5.51   5.57   5.59   5.55   5.51   5.48   5.50   5.46   5.46   5.43   5.43   5.24   5.25   5.31   5.23   5.22   5.22

# Checking swapping
#   possible swapping detected:  E    14_C      E    14_B
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  Y    22_C      Y    22_B
#   possible swapping detected:  D    31_C      D    31_B
#   possible swapping detected:  E    34_C      E    34_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:  F    65_C      F    65_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  E    89_C      E    89_B
#   possible swapping detected:  F   113_C      F   113_B
#   possible swapping detected:  D   116_C      D   116_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    15.082     0    0.150   0.245    17.219    0.000    0.000
LGA    K     3_C      K     3_B    13.616     0    0.361   0.655    21.078    0.357    0.159
LGA    S     4_C      S     4_B     9.594     0    0.049   0.728    11.539    1.429    0.952
LGA    K     5_C      K     5_B     4.907     0    0.124   0.967     7.981   30.357   28.413
LGA    M     6_C      M     6_B     5.460     0    0.124   1.009    13.339   33.690   17.798
LGA    L     7_C      L     7_B     1.186     0    0.634   1.444     7.197   81.548   51.786
LGA    S     8_C      S     8_B     1.100     0    0.195   0.262     1.683   85.952   83.016
LGA    N     9_C      N     9_B     0.929     0    0.032   0.905     3.929   83.810   70.060
LGA    I    10_C      I    10_B     0.867     0    0.064   0.799     3.973   90.476   81.369
LGA    V    11_C      V    11_B     0.948     0    0.030   0.048     1.590   90.476   84.150
LGA    I    12_C      I    12_B     0.937     0    0.077   0.110     1.259   85.952   88.214
LGA    Q    13_C      Q    13_B     1.047     0    0.016   1.211     5.051   83.690   70.899
LGA    E    14_C      E    14_B     1.078     0    0.030   0.611     1.498   85.952   85.450
LGA    V    15_C      V    15_B     0.813     0    0.029   0.075     0.834   90.476   90.476
LGA    K    16_C      K    16_B     0.756     0    0.031   0.923     5.693   90.476   73.598
LGA    F    17_C      F    17_B     0.839     0    0.101   1.133     6.714   90.476   58.831
LGA    A    18_C      A    18_B     0.879     0    0.022   0.030     0.879   90.476   90.476
LGA    I    19_C      I    19_B     1.039     0    0.053   0.082     1.163   83.690   82.560
LGA    E    20_C      E    20_B     1.601     0    0.092   0.686     4.340   75.000   60.053
LGA    D    21_C      D    21_B     2.633     0    0.057   0.310     3.324   57.262   53.631
LGA    Y    22_C      Y    22_B     2.843     0    0.116   0.128     4.526   57.262   44.405
LGA    C    23_C      C    23_B     1.430     0    0.022   0.140     1.665   79.286   81.508
LGA    A    24_C      A    24_B     1.165     0    0.009   0.015     1.385   81.429   81.429
LGA    I    25_C      I    25_B     1.027     0    0.041   0.417     1.840   88.214   83.750
LGA    L    26_C      L    26_B     0.831     0    0.034   0.147     1.356   90.476   85.952
LGA    S    27_C      S    27_B     0.601     0    0.059   0.607     1.955   90.476   87.540
LGA    F    28_C      F    28_B     0.565     0    0.059   0.067     1.114   92.857   88.874
LGA    A    29_C      A    29_B     0.851     0    0.029   0.029     1.036   88.214   86.857
LGA    S    30_C      S    30_B     0.883     0    0.596   0.832     3.410   75.952   72.540
LGA    D    31_C      D    31_B     3.301     0    0.623   1.083     7.715   32.857   48.155
LGA    S    32_C      S    32_B    10.535     0    0.174   0.668    13.968    1.786    1.190
LGA    Y    33_C      Y    33_B    11.527     0    0.042   0.872    15.259    0.000    0.000
LGA    E    34_C      E    34_B    13.081     0    0.045   0.323    20.120    0.000    0.000
LGA    V    35_C      V    35_B     8.862     0    0.252   0.236    10.891    8.333    5.986
LGA    P    36_C      P    36_B     3.800     0    0.358   0.367     7.057   46.667   35.850
LGA    E    37_C      E    37_B     1.647     0    0.074   0.396     5.439   82.024   61.799
LGA    Q    38_C      Q    38_B     0.632     0    0.080   0.877     3.303   88.214   86.085
LGA    Y    39_C      Y    39_B     1.163     0    0.074   1.277     7.403   83.690   57.143
LGA    F    40_C      F    40_B     1.001     0    0.073   1.218     4.682   88.333   73.290
LGA    I    41_C      I    41_B     0.674     0    0.035   0.135     0.786   90.476   92.857
LGA    I    42_C      I    42_B     0.923     0    0.081   0.161     1.252   90.476   85.952
LGA    T    43_C      T    43_B     1.068     0    0.068   0.192     1.416   81.429   82.721
LGA    R    44_C      R    44_B     1.170     0    0.091   0.661     5.982   67.500   58.355
LGA    S    45_C      S    45_B     4.361     0    0.016   0.685     4.947   40.476   38.413
LGA    T    46_C      T    46_B     6.134     0    0.589   0.570     7.172   17.500   16.395
LGA    T    47_C      T    47_B    10.083     0    0.148   1.113    12.570    0.357    0.204
LGA    E    48_C      E    48_B    12.551     0    0.686   0.573    14.093    0.000    0.000
LGA    R    49_C      R    49_B    13.053     0    0.612   1.367    14.768    0.000    0.909
LGA    S    50_C      S    50_B    18.504     0    0.649   0.807    21.452    0.000    0.000
LGA    G    51_C      G    51_B    21.811     0    0.672   0.672    21.811    0.000    0.000
LGA    G    52_C      G    52_B    18.369     0    0.381   0.381    19.828    0.000    0.000
LGA    I    53_C      I    53_B    16.868     0    0.232   1.068    18.624    0.000    0.000
LGA    P    54_C      P    54_B    12.014     0    0.027   0.060    16.431    0.476    0.272
LGA    E    55_C      E    55_B     4.855     0    0.648   0.875     7.386   39.048   46.138
LGA    G    56_C      G    56_B     3.118     0    0.681   0.681     3.118   55.357   55.357
LGA    D    57_C      D    57_B     1.788     0    0.029   0.191     2.785   72.976   70.000
LGA    I    58_C      I    58_B     1.866     0    0.113   1.268     3.238   68.810   66.190
LGA    Y    59_C      Y    59_B     1.714     0    0.057   0.237     2.614   72.857   68.214
LGA    L    60_C      L    60_B     1.334     0    0.068   1.377     3.313   79.286   73.274
LGA    E    61_C      E    61_B     1.073     0    0.017   0.111     1.879   83.690   79.577
LGA    S    62_C      S    62_B     0.902     0    0.049   0.065     1.369   85.952   87.460
LGA    N    63_C      N    63_B     1.404     0    0.074   1.106     3.864   79.286   71.429
LGA    L    64_C      L    64_B     0.803     0    0.061   1.353     3.549   90.476   77.202
LGA    F    65_C      F    65_B     0.884     0    0.180   0.586     2.181   86.071   81.688
LGA    L    66_C      L    66_B     1.250     0    0.163   1.221     3.667   77.143   75.655
LGA    D    67_C      D    67_B     3.417     0    0.037   1.236     7.949   51.786   34.345
LGA    F    68_C      F    68_B     3.395     0    0.104   1.269     3.599   50.000   60.043
LGA    N    69_C      N    69_B     2.520     0    0.237   1.027     4.429   60.952   55.714
LGA    P    70_C      P    70_B     3.009     0    0.689   0.584     4.181   53.810   49.524
LGA    Y    71_C      Y    71_B     2.474     0    0.598   1.280    11.154   62.857   27.540
LGA    G    72_C      G    72_B     4.460     0    0.446   0.446     4.460   43.452   43.452
LGA    L    73_C      L    73_B     2.429     0    0.075   0.343     3.281   55.476   64.226
LGA    S    74_C      S    74_B     2.656     0    0.040   0.056     2.897   59.048   58.413
LGA    G    75_C      G    75_B     2.146     0    0.147   0.147     2.146   66.786   66.786
LGA    Y    76_C      Y    76_B     2.008     0    0.175   1.236     8.466   63.095   47.341
LGA    L    77_C      L    77_B     1.548     0    0.011   0.225     1.560   75.000   78.214
LGA    L    78_C      L    78_B     1.555     0    0.064   0.891     5.426   72.857   60.476
LGA    S    79_C      S    79_B     1.233     0    0.041   0.110     1.278   81.429   81.429
LGA    E    80_C      E    80_B     1.273     0    0.169   1.338     7.075   62.857   42.910
LGA    P    81_C      P    81_B     2.864     0    0.110   0.457     4.668   65.357   54.286
LGA    N    82_C      N    82_B     1.370     0    0.410   0.834     1.951   79.405   78.274
LGA    C    83_C      C    83_B     1.159     0    0.057   0.781     1.545   81.429   80.000
LGA    V    84_C      V    84_B     0.974     0    0.054   0.057     1.085   90.476   87.891
LGA    D    85_C      D    85_B     0.981     0    0.013   0.142     1.165   85.952   83.690
LGA    L    86_C      L    86_B     1.076     0    0.023   1.340     3.811   88.214   75.893
LGA    L    87_C      L    87_B     0.993     0    0.022   1.022     2.787   81.548   75.298
LGA    I    88_C      I    88_B     1.577     0    0.152   0.369     1.956   75.000   75.000
LGA    E    89_C      E    89_B     2.282     0    0.015   0.144     3.988   55.714   64.497
LGA    P    90_C      P    90_B     2.708     0    0.508   0.475     4.367   53.571   48.367
LGA    N    91_C      N    91_B     4.214     0    0.112   1.254    10.340   40.476   23.333
LGA    N    92_C      N    92_B     2.377     0    0.040   0.258     3.660   66.905   59.464
LGA    Y    93_C      Y    93_B     0.772     0    0.081   1.411     9.193   85.952   51.270
LGA    V    94_C      V    94_B     0.560     0    0.031   0.164     1.454   97.619   93.265
LGA    R    95_C      R    95_B     0.377     0    0.036   0.287     2.716  100.000   84.589
LGA    L    96_C      L    96_B     0.322     0    0.047   0.115     0.809   95.238   96.429
LGA    R    97_C      R    97_B     1.067     0    0.116   0.666     2.419   83.690   75.368
LGA    L    98_C      L    98_B     1.147     0    0.043   1.108     3.281   81.429   76.429
LGA    I    99_C      I    99_B     1.979     0    0.690   0.687     6.249   67.619   50.655
LGA    E   100_C      E   100_B     2.862     0    0.660   1.101     8.703   65.000   34.233
LGA    K   101_C      K   101_B     1.591     0    0.488   0.377     9.929   86.071   50.688
LGA    I   102_C      I   102_B     0.747     0    0.055   0.658     1.374   83.690   84.821
LGA    D   103_C      D   103_B     1.551     0    0.106   0.163     2.442   75.000   70.893
LGA    I   104_C      I   104_B     1.521     0    0.072   0.911     2.955   72.857   69.881
LGA    L   105_C      L   105_B     1.470     0    0.083   1.412     5.272   81.429   63.929
LGA    E   106_C      E   106_B     1.657     0    0.010   1.089     5.313   72.857   59.524
LGA    V   107_C      V   107_B     1.800     0    0.027   0.064     1.985   72.857   72.857
LGA    E   108_C      E   108_B     1.567     0    0.019   0.832     3.097   72.857   72.222
LGA    N   109_C      N   109_B     1.481     0    0.041   0.167     1.693   77.143   79.345
LGA    H   110_C      H   110_B     2.086     0    0.033   1.340     5.047   64.881   52.619
LGA    L   111_C      L   111_B     2.361     0    0.292   0.799     5.522   70.952   59.643
LGA    K   112_C      K   112_B     1.420     0    0.034   0.569     4.712   72.976   59.259
LGA    F   113_C      F   113_B     3.790     0    0.394   1.200     9.057   52.024   25.801
LGA    L   114_C      L   114_B     2.619     0    0.588   1.028     6.272   55.476   47.083
LGA    F   115_C      F   115_B     3.339     0    0.238   1.132     6.481   42.976   27.706
LGA    D   116_C      D   116_B     3.971     0    0.653   1.263     7.795   48.333   33.274
LGA    N   117_C      N   117_B     5.121     0    0.238   1.020     8.100   27.024   20.952

# 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):     5.108          5.056                  5.453           63.075   56.652

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     96    1.96    67.241    63.212     4.669

LGA_LOCAL      RMSD:   1.956  Number of atoms:   96  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.506  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   5.108  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.690318 * X  +  -0.557478 * Y  +  -0.461172 * Z  + -30.615986
  Y_new =  -0.145658 * X  +   0.731446 * Y  +  -0.666161 * Z  + -17.728720
  Z_new =   0.708692 * X  +  -0.392689 * Y  +  -0.586132 * Z  +  15.831954 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.933641 -0.787643 -2.551308   [DEG: -168.0853  -45.1286 -146.1792 ]
ZXZ: -0.605528  2.197072  2.076785   [DEG:  -34.6942  125.8830  118.9910 ]
 
# END of job
