
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  116 (  967),  selected  114 , name one
# Molecule2: number of CA atoms  114 (  953),  selected  114 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114       3_A - 116_A       4.46     4.46
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31       3_A - 33_A        1.74     5.85
  LCS_AVERAGE:     20.59

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30       3_A - 32_A        0.83     5.46
  LCS_AVERAGE:     12.01

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  114
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     3_A     G     3_A     30   31  114      3    9   28   36   55   60   70   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     E     4_A     E     4_A     30   31  114     19   25   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     E     5_A     E     5_A     30   31  114     19   25   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     E     6_A     E     6_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R     7_A     R     7_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     F     8_A     F     8_A     30   31  114     13   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R     9_A     R     9_A     30   31  114     18   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     A    10_A     A    10_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     Y    11_A     Y    11_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     Y    12_A     Y    12_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     E    13_A     E    13_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R    14_A     R    14_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     Y    15_A     Y    15_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     F    16_A     F    16_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     A    17_A     A    17_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     A    18_A     A    18_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     L    19_A     L    19_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     A    20_A     A    20_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     A    21_A     A    21_A     30   31  114     17   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R    22_A     R    22_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     D    23_A     D    23_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     Y    24_A     Y    24_A     30   31  114     19   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     E    25_A     E    25_A     30   31  114     19   25   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     T    26_A     T    26_A     30   31  114     10   25   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     L    27_A     L    27_A     30   31  114     10   25   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     L    28_A     L    28_A     30   31  114      4   25   36   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     E    29_A     E    29_A     30   31  114      3   23   36   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     I    30_A     I    30_A     30   31  114     14   25   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     L    31_A     L    31_A     30   31  114      3   19   33   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R    32_A     R    32_A     30   31  114      3    5   26   43   54   64   70   78   82   90   97   99  103  104  107  109  110  110  111  112 
LCS_GDT     E    33_A     E    33_A      3   31  114      3    3    4    4   11   18   31   44   57   68   84   93   96  100  103  107  109  110  111  112 
LCS_GDT     F    34_A     F    34_A      3    4  114      3    3    4    6   10   19   27   36   50   68   77   93   95   99  102  107  109  110  111  112 
LCS_GDT     G    35_A     G    35_A      4    9  114      3    4    5    7   14   21   27   39   52   68   84   93   96  100  102  107  109  110  111  112 
LCS_GDT     V    36_A     V    36_A      4   22  114      3    4    5    7   16   25   36   55   69   80   89   96   99  103  103  107  109  110  111  112 
LCS_GDT     A    37_A     A    37_A      7   24  114      5   23   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     K    38_A     K    38_A      7   24  114      5   23   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     L    39_A     L    39_A      7   24  114      5   20   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     V    40_A     V    40_A      7   24  114      5   25   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     L    41_A     L    41_A      7   24  114      5   25   38   49   55   64   71   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     N    42_A     N    42_A      7   24  114      4   16   37   49   55   64   70   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     G    43_A     G    43_A      7   24  114      4    5    8   14   22   52   58   66   76   77   87   92   99  104  109  109  110  110  111  112 
LCS_GDT     R    44_A     R    44_A     10   25  114      4   16   27   42   55   64   70   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     E    45_A     E    45_A     11   28  114      4   25   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     F    46_A     F    46_A     14   28  114      9   25   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     A    47_A     A    47_A     14   28  114      4   10   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     S    48_A     S    48_A     14   28  114     13   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     P    49_A     P    49_A     14   28  114      5   26   35   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     E    50_A     E    50_A     14   28  114      5   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     E    51_A     E    51_A     14   28  114     13   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     A    52_A     A    52_A     14   28  114      9   26   35   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     V    53_A     V    53_A     14   28  114      7   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     Q    54_A     Q    54_A     14   28  114     11   26   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     W    55_A     W    55_A     14   28  114      7   23   37   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     A    56_A     A    56_A     14   28  114      7   13   35   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R    57_A     R    57_A     14   28  114      7   24   38   49   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     D    58_A     D    58_A     14   28  114      7   13   30   47   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     T    59_A     T    59_A     14   28  114      4   12   19   38   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     G    60_A     G    60_A     13   28  114      4   15   28   43   54   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     L    61_A     L    61_A      4   28  114      4    4   16   33   51   62   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R    62_A     R    62_A      4   28  114      4   13   33   47   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     F    63_A     F    63_A      4   28  114      4    4    6   28   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     L    64_A     L    64_A      5   28  114      3    5    7   10   48   58   71   78   83   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R    65_A     R    65_A      5   28  114      3    5    7   38   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     L    66_A     L    66_A      5   28  114      3    5   10   38   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     I    67_A     I    67_A      6   28  114      3   10   26   38   55   61   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R    68_A     R    68_A      6   28  114      6   19   34   47   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     E    69_A     E    69_A      6   28  114      4    5   10   16   46   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R    70_A     R    70_A      6   28  114      6   19   34   47   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     Y    71_A     Y    71_A      6   28  114      4    7   29   47   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     E    72_A     E    72_A      6   28  114      6   24   34   45   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     D    73_A     D    73_A      4   10  114      3    4   27   46   55   64   70   78   82   90   97   99  105  105  109  109  110  110  111  112 
LCS_GDT     G    74_A     G    74_A      5   11  114      4   16   30   47   55   61   70   73   81   86   93   98  102  104  109  109  110  110  111  112 
LCS_GDT     V    75_A     V    75_A      5   11  114      4   10   17   49   55   61   70   73   82   89   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     Y    76_A     Y    76_A      5   11  114      4    7   17   32   54   59   65   73   77   84   92   97  102  104  109  109  110  110  111  112 
LCS_GDT     T    77_A     T    77_A      5   11  114      4   10   22   42   55   61   70   73   82   89   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     V    78_A     V    78_A      5   11  114      4    5    9   28   44   59   62   72   77   84   93  101  105  105  109  109  110  110  111  112 
LCS_GDT     E    79_A     E    79_A      5   11  114      4   16   38   49   55   62   70   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     D    80_A     D    80_A      5   11  114      4    5   22   48   55   62   70   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     I    81_A     I    81_A      5   11  114      3   25   38   49   55   64   70   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     V    82_A     V    82_A      4   11  114      3    3    6   12   38   50   62   73   77   89   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     S    83_A     S    83_A      4   11  114      3    3    5   40   55   64   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R    84_A     R    84_A      4   11  114      3    3    5   11   20   40   56   73   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     D    85_A     D    85_A      4   11  114      3    4    4    6   11   21   35   50   61   85   96   99  105  105  109  109  110  110  111  112 
LCS_GDT     D    86_A     D    86_A      4   17  114      3    3    4    6   11   28   32   44   62   67   81   98  102  104  109  109  110  110  111  112 
LCS_GDT     G    87_A     G    87_A      9   17  114      4    9   15   20   24   49   68   76   83   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R    88_A     R    88_A      9   18  114      4   10   16   20   24   34   42   73   78   89   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     Y    89_A     Y    89_A      9   18  114      4   12   16   20   27   47   65   76   82   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     Y    90_A     Y    90_A      9   18  114      4    7   16   20   27   34   68   76   83   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R    91_A     R    91_A      9   18  114      4   10   16   20   43   57   71   77   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     H    92_A     H    92_A      9   20  114      4   12   16   25   43   59   72   77   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     T    93_A     T    93_A      9   20  114      6   12   16   25   48   59   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     S    94_A     S    94_A      9   20  114      4   12   25   38   51   59   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     T    95_A     T    95_A      9   20  114      4   12   25   38   51   59   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     L    96_A     L    96_A      9   20  114      6   11   25   38   51   59   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R    97_A     R    97_A      9   20  114      4   12   24   32   45   57   70   77   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     R    98_A     R    98_A      9   20  114      4    9   14   25   35   48   65   77   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     Q    99_A     Q    99_A      9   20  114      4    9   14   19   24   35   46   59   73   86   96  101  105  105  109  109  110  110  111  112 
LCS_GDT     P   100_A     P   100_A      9   20  114      3    9   12   17   24   33   43   51   61   70   87  100  105  105  109  109  110  110  111  111 
LCS_GDT     D   101_A     D   101_A      9   20  114      3    9   12   17   24   31   36   46   57   69   86   98  105  105  109  109  110  110  111  111 
LCS_GDT     G   102_A     G   102_A      9   20  114      3    9   12   17   24   31   37   47   61   81   93  101  105  105  109  109  110  110  111  112 
LCS_GDT     S   103_A     S   103_A      7   20  114      3    5    6   10   18   29   37   51   71   86   96  101  105  105  109  109  110  110  111  112 
LCS_GDT     Y   104_A     Y   104_A      5   20  114      3    4   12   19   24   41   59   77   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     V   105_A     V   105_A      5   20  114      3    4    5   11   24   35   54   71   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     Q   106_A     Q   106_A      8   20  114      3   13   19   38   51   59   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     Y   107_A     Y   107_A      8   20  114      4   12   24   38   51   59   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     S   108_A     S   108_A      8   20  114      3   12   24   38   51   59   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     Q   109_A     Q   109_A      8   20  114      6   12   17   38   51   59   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     L   110_A     L   110_A      8   20  114      6   14   25   38   51   59   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     E   111_A     E   111_A      8   20  114      6   12   24   38   51   59   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     L   112_A     L   112_A      8   11  114      5   14   25   38   51   59   72   78   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     L   113_A     L   113_A      8   11  114      6   12   16   25   43   59   72   77   85   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     G   114_A     G   114_A      8   11  114      3   10   13   20   43   51   67   74   83   91   97  101  105  105  109  109  110  110  111  112 
LCS_GDT     S   115_A     S   115_A      4   11  114      3    4   10   17   24   35   53   65   74   82   93  101  105  105  109  109  110  110  111  112 
LCS_GDT     G   116_A     G   116_A      4   11  114      3    4    5   13   22   35   53   65   74   81   93  101  105  105  109  109  110  110  111  112 
LCS_AVERAGE  LCS_A:  44.20  (  12.01   20.59  100.00 )

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     19     26     38     49     55     64     72     78     85     91     97    101    105    105    109    109    110    110    111    112 
GDT PERCENT_AT  16.67  22.81  33.33  42.98  48.25  56.14  63.16  68.42  74.56  79.82  85.09  88.60  92.11  92.11  95.61  95.61  96.49  96.49  97.37  98.25
GDT RMS_LOCAL    0.36   0.64   0.98   1.19   1.38   1.81   2.24   2.38   2.76   2.97   3.19   3.53   3.80   3.80   4.06   4.01   4.08   4.08   4.14   4.26
GDT RMS_ALL_AT   5.30   5.02   5.57   5.53   5.65   5.00   4.55   4.67   4.52   4.49   4.49   4.50   4.54   4.54   4.51   4.51   4.50   4.50   4.49   4.48

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  D    85_A      D    85_A
#   possible swapping detected:  D    86_A      D    86_A
#   possible swapping detected:  Y   107_A      Y   107_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A     4.316     0    0.054   0.054     4.688   40.476   40.476
LGA    E     4_A      E     4_A     3.095     0    0.108   0.909     6.094   53.810   44.550
LGA    E     5_A      E     5_A     2.801     0    0.046   0.220     3.908   59.048   51.799
LGA    E     6_A      E     6_A     2.413     0    0.040   0.911     3.374   64.881   61.481
LGA    R     7_A      R     7_A     1.966     0    0.037   1.246     6.250   72.976   55.758
LGA    F     8_A      F     8_A     1.238     0    0.075   1.167     8.490   79.286   47.706
LGA    R     9_A      R     9_A     1.274     0    0.046   0.455     4.311   81.429   68.009
LGA    A    10_A      A    10_A     0.879     0    0.059   0.058     1.026   88.214   88.667
LGA    Y    11_A      Y    11_A     0.952     0    0.062   1.444    10.882   90.476   46.786
LGA    Y    12_A      Y    12_A     0.913     0    0.060   0.276     2.909   90.476   76.825
LGA    E    13_A      E    13_A     0.754     0    0.037   1.145     4.789   90.476   72.857
LGA    R    14_A      R    14_A     0.504     0    0.029   0.891     4.617   95.238   79.048
LGA    Y    15_A      Y    15_A     0.542     0    0.053   0.153     1.001   92.857   92.103
LGA    F    16_A      F    16_A     0.749     0    0.076   0.902     4.715   90.476   68.268
LGA    A    17_A      A    17_A     1.090     0    0.042   0.045     1.408   85.952   85.048
LGA    A    18_A      A    18_A     0.923     0    0.053   0.056     1.042   90.476   88.667
LGA    L    19_A      L    19_A     0.567     0    0.081   1.078     3.185   88.214   82.262
LGA    A    20_A      A    20_A     1.307     0    0.069   0.068     1.816   79.286   79.714
LGA    A    21_A      A    21_A     1.331     0    0.167   0.167     1.612   83.690   81.524
LGA    R    22_A      R    22_A     1.124     0    0.046   0.904     5.692   81.429   57.143
LGA    D    23_A      D    23_A     1.266     0    0.102   0.191     2.264   85.952   78.393
LGA    Y    24_A      Y    24_A     0.932     0    0.053   0.227     2.210   88.214   80.159
LGA    E    25_A      E    25_A     1.305     0    0.076   1.198     3.986   79.286   69.788
LGA    T    26_A      T    26_A     1.098     0    0.022   1.115     3.036   81.429   75.850
LGA    L    27_A      L    27_A     1.296     0    0.044   0.092     1.812   77.143   79.286
LGA    L    28_A      L    28_A     2.185     0    0.086   1.302     5.480   66.786   62.083
LGA    E    29_A      E    29_A     2.126     0    0.035   0.679     2.746   66.786   62.275
LGA    I    30_A      I    30_A     2.159     0    0.435   1.210     5.539   61.071   53.333
LGA    L    31_A      L    31_A     1.779     0    0.613   0.958     2.419   72.857   71.845
LGA    R    32_A      R    32_A     3.627     0    0.608   0.759    10.348   31.310   18.701
LGA    E    33_A      E    33_A     9.817     0    0.092   0.703    16.148    2.738    1.217
LGA    F    34_A      F    34_A     9.495     0    0.636   0.547    10.919    0.833    0.519
LGA    G    35_A      G    35_A     9.176     0    0.362   0.362     9.176    3.095    3.095
LGA    V    36_A      V    36_A     7.018     0    0.057   0.118    11.490   17.500   11.429
LGA    A    37_A      A    37_A     2.929     0    0.703   0.632     3.937   55.357   52.952
LGA    K    38_A      K    38_A     2.867     0    0.044   0.497     3.604   57.143   56.561
LGA    L    39_A      L    39_A     2.657     0    0.062   1.378     4.123   57.143   57.500
LGA    V    40_A      V    40_A     2.894     0    0.029   1.162     5.401   55.357   48.707
LGA    L    41_A      L    41_A     2.858     0    0.239   1.271     2.858   61.071   64.107
LGA    N    42_A      N    42_A     3.988     0    0.427   1.200     6.376   32.500   34.702
LGA    G    43_A      G    43_A     7.492     0    0.579   0.579     7.492   17.500   17.500
LGA    R    44_A      R    44_A     3.711     0    0.059   1.474    11.881   40.714   24.545
LGA    E    45_A      E    45_A     2.415     0    0.082   0.236     5.435   73.214   54.974
LGA    F    46_A      F    46_A     1.075     0    0.126   0.270     4.702   77.143   58.571
LGA    A    47_A      A    47_A     1.851     0    0.691   0.632     3.061   71.429   68.571
LGA    S    48_A      S    48_A     0.273     0    0.080   0.522     1.187   90.595   89.048
LGA    P    49_A      P    49_A     1.164     0    0.061   0.077     1.270   83.690   84.014
LGA    E    50_A      E    50_A     1.133     0    0.034   1.071     4.884   81.429   64.868
LGA    E    51_A      E    51_A     0.986     0    0.029   0.984     3.048   83.690   77.302
LGA    A    52_A      A    52_A     1.431     0    0.052   0.072     1.572   79.286   78.000
LGA    V    53_A      V    53_A     1.629     0    0.077   0.113     3.168   81.667   72.313
LGA    Q    54_A      Q    54_A     0.189     0    0.037   0.663     1.648   95.238   88.677
LGA    W    55_A      W    55_A     0.983     0    0.032   0.978     5.477   85.952   58.061
LGA    A    56_A      A    56_A     1.435     0    0.051   0.062     1.532   79.286   78.000
LGA    R    57_A      R    57_A     0.772     0    0.042   0.770     3.041   85.952   77.576
LGA    D    58_A      D    58_A     1.807     0    0.080   0.863     5.046   69.048   54.464
LGA    T    59_A      T    59_A     2.645     0    0.643   0.951     4.786   54.048   53.946
LGA    G    60_A      G    60_A     2.080     0    0.342   0.342     2.674   62.857   62.857
LGA    L    61_A      L    61_A     3.645     0    0.151   1.030     7.646   55.595   38.571
LGA    R    62_A      R    62_A     2.201     0    0.135   1.554     6.371   57.262   48.052
LGA    F    63_A      F    63_A     3.363     0    0.456   1.033    11.281   65.595   27.879
LGA    L    64_A      L    64_A     3.084     0    0.627   1.451     8.105   52.500   33.929
LGA    R    65_A      R    65_A     2.540     0    0.070   1.399     3.927   69.048   55.801
LGA    L    66_A      L    66_A     2.239     0    0.045   0.967     6.255   57.500   43.512
LGA    I    67_A      I    67_A     2.764     0    0.602   1.542     5.927   66.905   51.071
LGA    R    68_A      R    68_A     0.880     0    0.055   1.485     4.075   73.333   68.442
LGA    E    69_A      E    69_A     3.100     0    0.096   1.097    11.650   65.238   33.333
LGA    R    70_A      R    70_A     0.977     0    0.108   1.340    13.127   72.024   32.857
LGA    Y    71_A      Y    71_A     2.334     0    0.137   1.205    13.324   71.190   28.770
LGA    E    72_A      E    72_A     0.755     0    0.047   1.177     8.032   75.833   47.989
LGA    D    73_A      D    73_A     3.677     0    0.300   0.463     7.597   45.595   32.143
LGA    G    74_A      G    74_A     5.738     0    0.634   0.634     6.357   24.048   24.048
LGA    V    75_A      V    75_A     5.114     0    0.147   1.015     8.819   25.000   20.816
LGA    Y    76_A      Y    76_A     6.395     0    0.125   1.444    11.382   18.333    6.825
LGA    T    77_A      T    77_A     5.268     0    0.209   1.012     8.381   22.738   19.796
LGA    V    78_A      V    78_A     6.039     0    0.043   0.077     9.655   24.048   15.510
LGA    E    79_A      E    79_A     4.251     0    0.099   0.830    10.342   32.976   20.529
LGA    D    80_A      D    80_A     4.482     0    0.207   0.999    10.093   35.714   21.488
LGA    I    81_A      I    81_A     3.495     0    0.063   1.354     6.710   42.024   34.643
LGA    V    82_A      V    82_A     5.541     0    0.548   1.041     9.838   27.619   17.551
LGA    S    83_A      S    83_A     2.960     0    0.051   0.710     6.680   36.310   37.778
LGA    R    84_A      R    84_A     5.618     0    0.567   1.911    10.304   23.214   11.385
LGA    D    85_A      D    85_A     9.187     0    0.542   1.153    13.817    4.048    2.024
LGA    D    86_A      D    86_A    10.465     0    0.279   1.107    12.861    1.190    0.595
LGA    G    87_A      G    87_A     6.613     0    0.693   0.693     7.684   11.786   11.786
LGA    R    88_A      R    88_A     7.267     0    0.125   0.797    12.189   12.619    5.498
LGA    Y    89_A      Y    89_A     6.319     0    0.029   1.569    13.373   15.238    7.063
LGA    Y    90_A      Y    90_A     5.845     0    0.161   1.004    14.961   25.119   10.437
LGA    R    91_A      R    91_A     5.005     0    0.148   1.423    10.860   33.214   19.913
LGA    H    92_A      H    92_A     4.225     0    0.175   1.216     4.544   35.714   42.429
LGA    T    93_A      T    93_A     4.036     0    0.131   1.009     7.168   41.905   34.354
LGA    S    94_A      S    94_A     3.180     0    0.046   0.633     3.848   46.667   46.667
LGA    T    95_A      T    95_A     3.705     0    0.065   0.075     5.445   46.667   38.639
LGA    L    96_A      L    96_A     3.119     0    0.131   0.466     3.666   48.333   49.226
LGA    R    97_A      R    97_A     5.427     0    0.144   1.066    16.312   23.095    9.870
LGA    R    98_A      R    98_A     6.316     0    0.112   0.196     8.354   12.619   16.753
LGA    Q    99_A      Q    99_A     9.542     0    0.056   0.382    11.220    1.429    1.005
LGA    P   100_A      P   100_A    12.324     0    0.100   0.094    13.439    0.000    0.000
LGA    D   101_A      D   101_A    12.609     0    0.421   0.488    13.124    0.000    0.000
LGA    G   102_A      G   102_A    10.655     0    0.625   0.625    11.671    3.214    3.214
LGA    S   103_A      S   103_A     8.379     0    0.052   0.082    12.408    3.452    2.302
LGA    Y   104_A      Y   104_A     6.175     0    0.104   0.166    10.411   17.143   13.730
LGA    V   105_A      V   105_A     6.230     0    0.074   0.131    10.783   23.452   15.102
LGA    Q   106_A      Q   106_A     3.896     0    0.603   1.140    11.300   43.333   23.333
LGA    Y   107_A      Y   107_A     3.789     0    0.108   0.182     4.135   41.786   50.952
LGA    S   108_A      S   108_A     3.529     0    0.062   0.630     3.754   43.333   50.794
LGA    Q   109_A      Q   109_A     3.810     0    0.025   0.961     9.714   43.333   27.249
LGA    L   110_A      L   110_A     3.452     0    0.117   0.736     4.877   46.667   46.071
LGA    E   111_A      E   111_A     3.619     0    0.116   0.998     6.815   41.786   32.857
LGA    L   112_A      L   112_A     3.839     0    0.161   1.005     7.058   38.810   33.274
LGA    L   113_A      L   113_A     5.404     0    0.215   1.407     7.975   19.524   25.536
LGA    G   114_A      G   114_A     6.995     0    0.145   0.145     7.205   14.405   14.405
LGA    S   115_A      S   115_A     8.792     0    0.048   0.097     9.322    3.810    3.016
LGA    G   116_A      G   116_A     8.992     0    0.500   0.500     8.997    5.952    5.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      114     456    456  100.00     953    953  100.00               114
SUMMARY(RMSD_GDC):     4.462          4.408                  5.534           51.358   43.257

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0     78    2.38    57.456    51.408     3.144

LGA_LOCAL      RMSD:   2.381  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.661  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   4.462  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.725014 * X  +   0.684339 * Y  +  -0.077685 * Z  + -18.169302
  Y_new =  -0.684535 * X  +   0.728431 * Y  +   0.028271 * Z  +  12.001699
  Z_new =   0.075935 * X  +   0.032681 * Y  +   0.996577 * Z  + -33.173012 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.756688 -0.076008  0.032782   [DEG:  -43.3551   -4.3549    1.8783 ]
ZXZ: -1.919815  0.082764  1.164373   [DEG: -109.9973    4.7420   66.7137 ]
 
# END of job
