
#######################################################
#                                                     #
#                        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  115 (  963),  selected  113 , name one
# Molecule2: number of CA atoms  114 (  953),  selected  113 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113       3_A - 115_A       2.64     2.64
  LCS_AVERAGE:     99.12

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    96       3_A - 98_A        1.93     2.72
  LCS_AVERAGE:     73.91

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26       3_A - 28_A        0.93     4.46
  LONGEST_CONTINUOUS_SEGMENT:    26       4_A - 29_A        0.94     3.97
  LONGEST_CONTINUOUS_SEGMENT:    26       5_A - 30_A        1.00     3.57
  LCS_AVERAGE:     17.77

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  113
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     3_A     G     3_A     26   96  113     10   16   40   73   91   98  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E     4_A     E     4_A     26   96  113     13   19   29   78   93   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E     5_A     E     5_A     26   96  113     13   23   73   86   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E     6_A     E     6_A     26   96  113     13   44   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R     7_A     R     7_A     26   96  113     13   25   67   83   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     F     8_A     F     8_A     26   96  113     13   23   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R     9_A     R     9_A     26   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     A    10_A     A    10_A     26   96  113     18   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Y    11_A     Y    11_A     26   96  113     21   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Y    12_A     Y    12_A     26   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E    13_A     E    13_A     26   96  113     13   46   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    14_A     R    14_A     26   96  113     13   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Y    15_A     Y    15_A     26   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     F    16_A     F    16_A     26   96  113     11   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     A    17_A     A    17_A     26   96  113     11   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     A    18_A     A    18_A     26   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     L    19_A     L    19_A     26   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     A    20_A     A    20_A     26   96  113     16   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     A    21_A     A    21_A     26   96  113     22   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    22_A     R    22_A     26   96  113     11   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     D    23_A     D    23_A     26   96  113     11   45   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Y    24_A     Y    24_A     26   96  113      9   28   62   86   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E    25_A     E    25_A     26   96  113      9   17   40   73   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     T    26_A     T    26_A     26   96  113      9   33   62   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     L    27_A     L    27_A     26   96  113     14   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     L    28_A     L    28_A     26   96  113     11   41   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E    29_A     E    29_A     26   96  113      8   42   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     I    30_A     I    30_A     26   96  113      8   42   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     24   96  113      6   45   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    32_A     R    32_A     24   96  113      8   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E    33_A     E    33_A     24   96  113      6   45   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     F    34_A     F    34_A     12   96  113      4    7   24   40   72   92   99  104  105  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     G    35_A     G    35_A     12   96  113      4    9   24   41   81   92  100  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     V    36_A     V    36_A      9   96  113      3    7    8   15   25   31   65   94  103  105  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     23   96  113     22   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     K    38_A     K    38_A     23   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     L    39_A     L    39_A     23   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     V    40_A     V    40_A     23   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     L    41_A     L    41_A     23   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     N    42_A     N    42_A     23   96  113      8   39   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     G    43_A     G    43_A     23   96  113      8   38   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    44_A     R    44_A     23   96  113      9   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E    45_A     E    45_A     23   96  113     14   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     F    46_A     F    46_A     23   96  113     16   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     23   96  113     10   33   71   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     S    48_A     S    48_A     23   96  113     10   33   71   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     P    49_A     P    49_A     23   96  113     10   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E    50_A     E    50_A     23   96  113     12   48   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E    51_A     E    51_A     23   96  113     10   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     A    52_A     A    52_A     23   96  113     10   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     V    53_A     V    53_A     23   96  113     10   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Q    54_A     Q    54_A     23   96  113     17   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     W    55_A     W    55_A     23   96  113     21   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     A    56_A     A    56_A     23   96  113     14   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    57_A     R    57_A     23   96  113     14   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     D    58_A     D    58_A     23   96  113     10   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     T    59_A     T    59_A     23   96  113      3    8   33   66   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     G    60_A     G    60_A     18   96  113      3   20   65   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     L    61_A     L    61_A      6   96  113      3    4    5    6   20   25   36   81  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    62_A     R    62_A      6   96  113      8   34   68   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     F    63_A     F    63_A      6   96  113      3   11   47   80   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     L    64_A     L    64_A     10   96  113      4   12   23   53   88   98  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    65_A     R    65_A     10   96  113      8   44   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     L    66_A     L    66_A     10   96  113      8   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     I    67_A     I    67_A     14   96  113     22   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    68_A     R    68_A     14   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E    69_A     E    69_A     14   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    70_A     R    70_A     14   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Y    71_A     Y    71_A     14   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E    72_A     E    72_A     14   96  113      0   16   68   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     D    73_A     D    73_A     14   96  113      1   33   67   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     G    74_A     G    74_A     14   96  113      0    7   33   79   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     V    75_A     V    75_A     24   96  113     18   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Y    76_A     Y    76_A     24   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     T    77_A     T    77_A     24   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     V    78_A     V    78_A     24   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E    79_A     E    79_A     24   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     D    80_A     D    80_A     24   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     I    81_A     I    81_A     24   96  113     18   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     V    82_A     V    82_A     24   96  113     18   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     S    83_A     S    83_A     24   96  113     12   36   64   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    84_A     R    84_A     24   96  113     17   36   62   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     D    85_A     D    85_A     24   96  113      3    7   27   63   90   98  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     D    86_A     D    86_A     24   96  113      3   25   51   73   93   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     G    87_A     G    87_A     24   96  113     15   36   59   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    88_A     R    88_A     24   96  113     17   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Y    89_A     Y    89_A     24   96  113     17   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Y    90_A     Y    90_A     24   96  113     20   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    91_A     R    91_A     24   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     H    92_A     H    92_A     24   96  113     16   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     T    93_A     T    93_A     24   96  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     S    94_A     S    94_A     24   96  113     22   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     T    95_A     T    95_A     24   96  113     21   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     L    96_A     L    96_A     24   96  113     16   45   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    97_A     R    97_A     24   96  113      8   28   53   80   94   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     R    98_A     R    98_A     24   96  113      3   17   30   45   79   92  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Q    99_A     Q    99_A     13   63  113      3    9   24   31   42   61   87   99  105  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     P   100_A     P   100_A      5   35  113      3    4    9   16   19   33   40   51   65   85   93  101  108  110  110  112  113  113  113  113 
LCS_GDT     D   101_A     D   101_A      3   27  113      3    3    5    8   12   16   22   37   40   55   73   90  100  106  109  111  113  113  113  113 
LCS_GDT     G   102_A     G   102_A      4   11  113      3    3    8   15   22   31   51   59   75   98  107  108  110  111  111  112  113  113  113  113 
LCS_GDT     S   103_A     S   103_A      4   13  113      3    3    5   11   21   28   52   76  101  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     12   13  113      3   28   63   86   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     V   105_A     V   105_A     12   13  113     18   46   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Q   106_A     Q   106_A     12   13  113     21   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Y   107_A     Y   107_A     12   13  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     S   108_A     S   108_A     12   13  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     12   13  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     L   110_A     L   110_A     12   13  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     E   111_A     E   111_A     12   13  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     L   112_A     L   112_A     12   13  113     26   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     L   113_A     L   113_A     12   13  113     18   49   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     12   13  113     17   47   73   87   95   99  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_GDT     S   115_A     S   115_A     12   13  113      3    5   19   63   90   98  103  104  106  107  108  109  110  111  111  112  113  113  113  113 
LCS_AVERAGE  LCS_A:  63.60  (  17.77   73.91   99.12 )

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     26     49     73     87     95     99    103    104    106    107    108    109    110    111    111    112    113    113    113    113 
GDT PERCENT_AT  22.81  42.98  64.04  76.32  83.33  86.84  90.35  91.23  92.98  93.86  94.74  95.61  96.49  97.37  97.37  98.25  99.12  99.12  99.12  99.12
GDT RMS_LOCAL    0.36   0.61   0.93   1.14   1.31   1.41   1.55   1.61   1.73   1.78   1.87   1.98   2.06   2.20   2.20   2.40   2.64   2.64   2.64   2.64
GDT RMS_ALL_AT   2.81   2.74   2.81   2.79   2.76   2.73   2.71   2.69   2.69   2.70   2.71   2.67   2.68   2.66   2.66   2.64   2.64   2.64   2.64   2.64

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  Y    11_A      Y    11_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  Y    24_A      Y    24_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  E    33_A      E    33_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  F    46_A      F    46_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  D    80_A      D    80_A
#   possible swapping detected:  D    86_A      D    86_A
#   possible swapping detected:  Y    89_A      Y    89_A
#   possible swapping detected:  Y    90_A      Y    90_A
#   possible swapping detected:  Y   104_A      Y   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A     3.532     0    0.424   0.424     4.171   46.905   46.905
LGA    E     4_A      E     4_A     2.910     0    0.130   0.305     4.788   59.167   49.841
LGA    E     5_A      E     5_A     1.462     0    0.037   0.667     3.390   81.548   69.894
LGA    E     6_A      E     6_A     1.378     0    0.010   0.970     3.844   79.286   67.407
LGA    R     7_A      R     7_A     2.044     0    0.048   1.114     7.401   70.833   45.974
LGA    F     8_A      F     8_A     1.374     0    0.027   0.353     4.833   85.952   62.468
LGA    R     9_A      R     9_A     0.492     0    0.038   1.789     7.988   95.238   62.597
LGA    A    10_A      A    10_A     0.977     0    0.038   0.046     1.285   88.214   86.857
LGA    Y    11_A      Y    11_A     0.499     0    0.021   0.077     2.075   97.619   83.333
LGA    Y    12_A      Y    12_A     0.751     0    0.040   1.374    10.955   88.333   47.778
LGA    E    13_A      E    13_A     1.458     0    0.008   0.754     2.589   81.429   75.873
LGA    R    14_A      R    14_A     1.003     0    0.022   1.028     5.148   85.952   67.446
LGA    Y    15_A      Y    15_A     0.605     0    0.007   0.270     3.827   90.476   74.484
LGA    F    16_A      F    16_A     1.094     0    0.025   1.205     9.605   83.690   46.104
LGA    A    17_A      A    17_A     1.072     0    0.045   0.047     1.158   83.690   83.238
LGA    A    18_A      A    18_A     0.607     0    0.028   0.028     0.678   90.476   90.476
LGA    L    19_A      L    19_A     0.844     0    0.065   1.389     3.715   88.214   74.226
LGA    A    20_A      A    20_A     1.164     0    0.040   0.046     1.459   83.690   83.238
LGA    A    21_A      A    21_A     0.656     0    0.098   0.111     1.131   90.476   88.667
LGA    R    22_A      R    22_A     1.442     0    0.058   0.985     4.861   77.143   64.286
LGA    D    23_A      D    23_A     1.536     0    0.036   0.075     1.917   77.143   76.071
LGA    Y    24_A      Y    24_A     2.325     0    0.077   0.296     2.897   64.762   59.683
LGA    E    25_A      E    25_A     3.052     0    0.115   1.109     4.659   57.262   45.503
LGA    T    26_A      T    26_A     2.080     0    0.018   0.065     2.598   68.810   65.986
LGA    L    27_A      L    27_A     1.116     0    0.060   0.081     1.401   83.690   83.690
LGA    L    28_A      L    28_A     1.572     0    0.036   1.383     4.277   77.143   70.595
LGA    E    29_A      E    29_A     1.735     0    0.029   0.342     3.116   72.857   65.026
LGA    I    30_A      I    30_A     1.828     0    0.166   0.875     4.075   72.857   63.690
LGA    L    31_A      L    31_A     1.803     0    0.018   0.189     2.021   70.833   75.060
LGA    R    32_A      R    32_A     1.632     0    0.170   1.067     4.866   70.833   63.810
LGA    E    33_A      E    33_A     2.033     0    0.021   0.600     3.911   59.405   57.513
LGA    F    34_A      F    34_A     4.871     0    0.104   0.409    10.073   29.524   15.238
LGA    G    35_A      G    35_A     4.585     0    0.658   0.658     4.824   32.857   32.857
LGA    V    36_A      V    36_A     6.332     0    0.077   0.127    11.237   27.262   16.190
LGA    A    37_A      A    37_A     0.492     0    0.657   0.619     3.230   91.190   82.952
LGA    K    38_A      K    38_A     0.858     0    0.025   0.884     3.954   90.476   76.085
LGA    L    39_A      L    39_A     0.463     0    0.055   1.441     4.734   97.619   74.940
LGA    V    40_A      V    40_A     0.130     0    0.033   0.048     0.702  100.000   97.279
LGA    L    41_A      L    41_A     0.880     0    0.013   0.787     2.834   85.952   82.917
LGA    N    42_A      N    42_A     1.523     0    0.049   0.178     1.586   75.000   77.143
LGA    G    43_A      G    43_A     1.594     0    0.119   0.119     1.594   77.143   77.143
LGA    R    44_A      R    44_A     1.154     0    0.020   1.228     5.953   85.952   60.087
LGA    E    45_A      E    45_A     0.775     0    0.051   0.623     4.391   86.071   64.974
LGA    F    46_A      F    46_A     0.854     0    0.090   0.245     1.992   86.190   84.069
LGA    A    47_A      A    47_A     2.068     0    0.046   0.042     2.846   64.881   64.857
LGA    S    48_A      S    48_A     2.079     0    0.065   0.481     2.356   70.833   71.587
LGA    P    49_A      P    49_A     1.616     0    0.047   0.060     2.112   77.143   72.993
LGA    E    50_A      E    50_A     1.231     0    0.029   0.957     4.756   81.429   69.894
LGA    E    51_A      E    51_A     1.358     0    0.031   1.207     5.284   81.429   69.101
LGA    A    52_A      A    52_A     1.376     0    0.046   0.061     1.547   81.429   79.714
LGA    V    53_A      V    53_A     1.358     0    0.035   0.039     1.883   81.429   77.755
LGA    Q    54_A      Q    54_A     0.773     0    0.064   1.017     3.341   90.476   84.974
LGA    W    55_A      W    55_A     0.674     0    0.040   0.048     1.119   90.476   89.184
LGA    A    56_A      A    56_A     1.231     0    0.034   0.036     1.666   81.548   79.810
LGA    R    57_A      R    57_A     1.226     0    0.026   1.819    10.011   79.286   46.580
LGA    D    58_A      D    58_A     1.141     0    0.070   0.085     2.013   77.381   80.536
LGA    T    59_A      T    59_A     2.796     0    0.336   0.323     4.237   54.048   52.313
LGA    G    60_A      G    60_A     2.178     0    0.436   0.436     3.781   57.738   57.738
LGA    L    61_A      L    61_A     5.402     0    0.528   1.371    12.266   34.524   17.857
LGA    R    62_A      R    62_A     1.890     0    0.126   1.399    12.676   61.429   30.779
LGA    F    63_A      F    63_A     2.475     0    0.079   1.220    11.516   61.429   27.489
LGA    L    64_A      L    64_A     3.255     0    0.606   0.978     8.475   55.833   34.226
LGA    R    65_A      R    65_A     1.786     0    0.044   1.356    11.160   81.786   43.203
LGA    L    66_A      L    66_A     1.273     0    0.021   0.864     2.167   79.286   75.060
LGA    I    67_A      I    67_A     0.585     0    0.036   0.641     3.128   95.238   87.798
LGA    R    68_A      R    68_A     0.227     0    0.050   1.397     3.993  100.000   78.268
LGA    E    69_A      E    69_A     0.269     0    0.029   0.878     3.352  100.000   84.550
LGA    R    70_A      R    70_A     0.244     0    0.088   0.838     2.878   97.619   82.208
LGA    Y    71_A      Y    71_A     0.495     0    0.104   0.501     1.621   95.238   89.127
LGA    E    72_A      E    72_A     2.394     0    0.578   0.525     4.261   57.976   52.910
LGA    D    73_A      D    73_A     2.263     0    0.264   0.453     3.798   64.762   55.714
LGA    G    74_A      G    74_A     2.904     0    0.544   0.544     3.022   61.190   61.190
LGA    V    75_A      V    75_A     0.789     0    0.057   0.109     1.745   92.976   86.803
LGA    Y    76_A      Y    76_A     0.473     0    0.021   1.243     6.106  100.000   70.913
LGA    T    77_A      T    77_A     0.551     0    0.038   0.155     0.812   90.476   90.476
LGA    V    78_A      V    78_A     0.358     0    0.020   0.072     0.662  100.000   98.639
LGA    E    79_A      E    79_A     0.407     0    0.023   0.733     2.293  100.000   86.138
LGA    D    80_A      D    80_A     0.818     0    0.147   0.917     2.097   90.476   83.929
LGA    I    81_A      I    81_A     0.811     0    0.014   0.634     2.699   90.476   86.310
LGA    V    82_A      V    82_A     1.030     0    0.135   1.101     2.694   83.690   78.027
LGA    S    83_A      S    83_A     1.794     0    0.069   0.693     3.946   70.833   66.587
LGA    R    84_A      R    84_A     1.969     0    0.178   0.937     6.866   68.810   50.260
LGA    D    85_A      D    85_A     3.566     0    0.573   1.208     4.879   46.905   44.464
LGA    D    86_A      D    86_A     3.028     0    0.525   1.252     8.570   53.571   34.702
LGA    G    87_A      G    87_A     2.179     0    0.183   0.183     2.667   66.905   66.905
LGA    R    88_A      R    88_A     1.153     0    0.043   0.909     3.459   79.286   73.506
LGA    Y    89_A      Y    89_A     1.140     0    0.051   0.490     2.999   85.952   79.087
LGA    Y    90_A      Y    90_A     0.696     0    0.037   0.114     1.450   90.476   87.460
LGA    R    91_A      R    91_A     0.347     0    0.066   1.310     4.908   95.238   81.688
LGA    H    92_A      H    92_A     0.841     0    0.057   0.199     1.148   90.476   85.048
LGA    T    93_A      T    93_A     0.506     0    0.027   0.038     0.808   95.238   94.558
LGA    S    94_A      S    94_A     0.484     0    0.097   0.625     1.776  100.000   93.889
LGA    T    95_A      T    95_A     0.488     0    0.017   0.053     0.705   95.238   95.918
LGA    L    96_A      L    96_A     1.141     0    0.101   0.356     2.848   83.690   74.405
LGA    R    97_A      R    97_A     2.547     0    0.089   1.009     6.063   55.833   50.519
LGA    R    98_A      R    98_A     4.477     0    0.035   1.341    12.204   33.214   16.147
LGA    Q    99_A      Q    99_A     6.808     0    0.093   1.055     8.361   11.667   13.280
LGA    P   100_A      P   100_A    11.006     0    0.498   0.414    12.294    0.119    0.068
LGA    D   101_A      D   101_A    12.432     0    0.045   1.274    15.714    0.000    0.000
LGA    G   102_A      G   102_A     8.574     0    0.711   0.711     9.401   12.262   12.262
LGA    S   103_A      S   103_A     6.486     0    0.159   0.611     9.019   18.214   13.175
LGA    Y   104_A      Y   104_A     2.151     0    0.658   1.250     7.404   71.190   46.349
LGA    V   105_A      V   105_A     1.059     0    0.038   0.151     1.912   77.143   79.048
LGA    Q   106_A      Q   106_A     0.537     0    0.055   0.194     1.066   95.238   91.587
LGA    Y   107_A      Y   107_A     0.201     0    0.085   1.383     8.749  100.000   61.310
LGA    S   108_A      S   108_A     0.491     0    0.061   0.096     0.900   97.619   95.238
LGA    Q   109_A      Q   109_A     0.675     0    0.062   0.841     3.351   90.476   78.413
LGA    L   110_A      L   110_A     0.704     0    0.035   1.369     3.435   90.476   78.036
LGA    E   111_A      E   111_A     0.321     0    0.033   0.706     3.137   97.619   79.101
LGA    L   112_A      L   112_A     0.336     0    0.037   0.054     1.626   92.976   89.524
LGA    L   113_A      L   113_A     1.234     0    0.112   0.182     2.230   79.524   81.607
LGA    G   114_A      G   114_A     1.029     0    0.128   0.128     3.693   70.000   70.000
LGA    S   115_A      S   115_A     3.398     0    0.026   0.679     5.849   48.810   42.302

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     949    949  100.00               114
SUMMARY(RMSD_GDC):     2.637          2.592                  3.646           74.720   65.480

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  115  114    4.0    104    1.61    77.193    80.458     6.099

LGA_LOCAL      RMSD:   1.605  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.693  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.637  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.758650 * X  +  -0.629718 * Y  +  -0.167046 * Z  +  -1.821443
  Y_new =   0.625999 * X  +   0.775620 * Y  +  -0.080860 * Z  + -15.688070
  Z_new =   0.180484 * X  +  -0.043226 * Y  +   0.982628 * Z  +   5.717184 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.689888 -0.181478 -0.043962   [DEG:   39.5277  -10.3979   -2.5188 ]
ZXZ: -1.119982  0.186670  1.805869   [DEG:  -64.1702   10.6954  103.4687 ]
 
# END of job
