
#######################################################
#                                                     #
#                        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       4.57     4.57
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31       3_A - 33_A        1.69     5.67
  LCS_AVERAGE:     21.21

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30       3_A - 32_A        0.80     5.35
  LCS_AVERAGE:     12.15

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     13   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     E     4_A     E     4_A     30   31  114     13   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     E     5_A     E     5_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     E     6_A     E     6_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R     7_A     R     7_A     30   31  114     13   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     F     8_A     F     8_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R     9_A     R     9_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     A    10_A     A    10_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Y    11_A     Y    11_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Y    12_A     Y    12_A     30   31  114     13   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     E    13_A     E    13_A     30   31  114     13   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R    14_A     R    14_A     30   31  114     13   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Y    15_A     Y    15_A     30   31  114     14   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     F    16_A     F    16_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     A    17_A     A    17_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     A    18_A     A    18_A     30   31  114     14   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     L    19_A     L    19_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     A    20_A     A    20_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     A    21_A     A    21_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R    22_A     R    22_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     D    23_A     D    23_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Y    24_A     Y    24_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     E    25_A     E    25_A     30   31  114     15   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     T    26_A     T    26_A     30   31  114      6   29   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     L    27_A     L    27_A     30   31  114      6   26   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     L    28_A     L    28_A     30   31  114      6   26   36   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     E    29_A     E    29_A     30   31  114      5   22   36   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     I    30_A     I    30_A     30   31  114     10   23   33   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     L    31_A     L    31_A     30   31  114      3   15   33   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R    32_A     R    32_A     30   31  114      3   11   30   47   58   65   70   78   83   89   96   99  101  104  106  107  108  110  111  112 
LCS_GDT     E    33_A     E    33_A      4   31  114      3    4    4    4    8   11   20   35   60   67   79   90   97  100  104  105  106  108  110  112 
LCS_GDT     F    34_A     F    34_A      4    6  114      3    4    4    5    8   10   14   24   38   54   70   87   97   99  101  103  106  108  110  112 
LCS_GDT     G    35_A     G    35_A      4    9  114      4    4    9   18   24   42   58   69   77   82   91   97  101  104  104  105  108  110  111  112 
LCS_GDT     V    36_A     V    36_A      4   22  114      4    4    5    7   18   23   42   63   72   80   89   97  101  104  104  105  108  110  111  112 
LCS_GDT     A    37_A     A    37_A      7   23  114      6   22   36   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     K    38_A     K    38_A      7   23  114      6   20   36   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     L    39_A     L    39_A      7   23  114      6   13   35   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     V    40_A     V    40_A      7   23  114      6   12   35   52   59   65   70   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     L    41_A     L    41_A      7   23  114      6   13   35   52   59   65   70   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     N    42_A     N    42_A      7   23  114      3   16   35   52   59   65   70   77   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     G    43_A     G    43_A      7   23  114      4    4    8   15   27   51   60   70   77   79   89   92   97  102  106  107  108  110  111  112 
LCS_GDT     R    44_A     R    44_A     10   23  114      4   10   26   45   58   65   70   77   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     E    45_A     E    45_A     12   24  114      5   13   35   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     F    46_A     F    46_A     14   24  114      5   28   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     A    47_A     A    47_A     14   24  114      4    8   36   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     S    48_A     S    48_A     14   24  114     13   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     P    49_A     P    49_A     14   24  114      7   16   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     E    50_A     E    50_A     14   24  114      7   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     E    51_A     E    51_A     14   24  114     11   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     A    52_A     A    52_A     14   24  114      7   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     V    53_A     V    53_A     14   24  114      7   20   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Q    54_A     Q    54_A     14   24  114      9   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     W    55_A     W    55_A     14   24  114      7   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     A    56_A     A    56_A     14   24  114      7   16   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R    57_A     R    57_A     14   24  114      7   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     D    58_A     D    58_A     14   24  114      4   16   35   50   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     T    59_A     T    59_A     14   24  114      4   13   22   45   58   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     G    60_A     G    60_A     12   24  114      4   10   26   41   53   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     L    61_A     L    61_A      4   24  114      5   12   26   39   54   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R    62_A     R    62_A      4   24  114      4   16   34   50   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     F    63_A     F    63_A      4   24  114      4    6   14   34   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     L    64_A     L    64_A      5   24  114      3    5    7    7   44   63   70   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R    65_A     R    65_A      5   24  114      4    5   24   46   58   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     L    66_A     L    66_A      5   24  114      4    5   19   44   58   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     I    67_A     I    67_A      5   24  114      4   11   24   37   52   63   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R    68_A     R    68_A      5   24  114      4   13   26   37   52   62   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     E    69_A     E    69_A      5   24  114      4    6   12   35   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R    70_A     R    70_A      5   10  114      4    6   12   49   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Y    71_A     Y    71_A      5   10  114      4   26   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     E    72_A     E    72_A      5   10  114      8   31   37   52   59   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     D    73_A     D    73_A      5   10  114      3   16   33   52   59   65   70   77   83   90   96   99  102  104  106  107  108  110  111  112 
LCS_GDT     G    74_A     G    74_A      5   10  114      4   12   26   42   57   64   69   74   80   86   93   99  101  104  106  107  108  110  111  112 
LCS_GDT     V    75_A     V    75_A      5   10  114      6    9   19   41   52   60   69   74   80   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Y    76_A     Y    76_A      5   10  114      4    8   14   32   44   59   69   74   77   85   92   99  101  104  106  107  108  110  111  112 
LCS_GDT     T    77_A     T    77_A      5   10  114      4   10   21   32   52   63   69   74   80   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     V    78_A     V    78_A      5   10  114      4    5   12   17   43   59   69   74   77   86   95  100  102  104  106  107  108  110  111  112 
LCS_GDT     E    79_A     E    79_A      5   10  114      4   13   35   52   59   65   70   77   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     D    80_A     D    80_A      5   10  114      4   10   21   34   59   65   70   77   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     I    81_A     I    81_A      5   10  114      3   15   36   52   59   65   70   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     V    82_A     V    82_A      4   10  114      3    3   10   16   41   56   69   74   79   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     S    83_A     S    83_A      4   10  114      3    3    5   30   54   65   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R    84_A     R    84_A      4    9  114      3    3    5    8   12   27   38   55   78   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     D    85_A     D    85_A      4    9  114      3    4    6    6    9   10   20   28   48   62   82   98  101  104  106  107  108  110  111  112 
LCS_GDT     D    86_A     D    86_A      4   17  114      3    4    6    7    9   12   30   36   44   57   67   80   94  104  106  107  108  109  111  112 
LCS_GDT     G    87_A     G    87_A     11   28  114      5   12   18   21   24   33   42   55   73   82   92   99  102  104  106  107  108  110  111  112 
LCS_GDT     R    88_A     R    88_A     11   28  114      3   12   18   21   24   33   63   68   79   86   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Y    89_A     Y    89_A     11   28  114      3   11   18   21   23   33   63   68   79   87   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Y    90_A     Y    90_A     11   28  114      3    9   18   21   24   49   63   76   83   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R    91_A     R    91_A     11   28  114      3    9   18   21   49   58   69   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     H    92_A     H    92_A     11   28  114      5   12   18   21   50   58   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     T    93_A     T    93_A     11   28  114      6   12   18   21   50   58   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     S    94_A     S    94_A     11   28  114      4   12   22   36   50   58   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     T    95_A     T    95_A     11   28  114      6   12   24   36   50   58   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     L    96_A     L    96_A     11   28  114      5   12   23   36   50   58   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R    97_A     R    97_A     11   28  114      5   13   26   35   48   58   69   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     R    98_A     R    98_A      9   28  114      3   11   16   30   40   57   69   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Q    99_A     Q    99_A      9   28  114      3   11   15   20   30   40   55   62   79   88   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     P   100_A     P   100_A      9   28  114      3    7   11   14   23   33   42   55   73   82   92  100  102  104  106  107  108  110  111  112 
LCS_GDT     D   101_A     D   101_A      9   28  114      3    8   15   19   24   27   35   52   64   77   90  100  102  104  106  107  108  110  111  111 
LCS_GDT     G   102_A     G   102_A      9   28  114      3    6   10   14   24   27   38   57   73   84   95  100  102  104  106  107  108  110  111  112 
LCS_GDT     S   103_A     S   103_A      6   28  114      3    4    7   12   24   27   36   60   79   89   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Y   104_A     Y   104_A      5   28  114      3    4   11   21   29   43   63   77   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     V   105_A     V   105_A      5   28  114      3    4    5   13   24   31   51   73   83   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Q   106_A     Q   106_A      8   28  114      5   16   26   36   50   58   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Y   107_A     Y   107_A      8   28  114      5   16   26   35   49   58   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     S   108_A     S   108_A      8   28  114      5   16   26   35   50   58   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     Q   109_A     Q   109_A      8   28  114      5   12   23   35   49   58   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     L   110_A     L   110_A      8   28  114      6   16   26   36   50   58   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     E   111_A     E   111_A      8   28  114      6   12   26   36   50   58   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     L   112_A     L   112_A      8   28  114      6   12   26   36   50   58   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     L   113_A     L   113_A      8   28  114      6   12   26   36   50   58   71   79   84   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     G   114_A     G   114_A      8   28  114      4   11   17   21   34   58   68   79   83   91   96  100  102  104  106  107  108  110  111  112 
LCS_GDT     S   115_A     S   115_A      4   10  114      4    5    5   10   18   21   29   43   55   60   70   93   99  102  105  107  108  110  111  112 
LCS_GDT     G   116_A     G   116_A      4    5  114      4    5    5    6    7    8   11   27   34   57   66   77   86   92  105  106  107  109  110  111 
LCS_AVERAGE  LCS_A:  44.45  (  12.15   21.21  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     15     31     37     52     59     65     71     79     84     91     96    100    102    104    106    107    108    110    111    112 
GDT PERCENT_AT  13.16  27.19  32.46  45.61  51.75  57.02  62.28  69.30  73.68  79.82  84.21  87.72  89.47  91.23  92.98  93.86  94.74  96.49  97.37  98.25
GDT RMS_LOCAL    0.31   0.66   0.79   1.28   1.50   1.73   2.24   2.50   2.67   3.00   3.19   3.59   3.69   3.70   3.92   3.97   4.01   4.16   4.27   4.38
GDT RMS_ALL_AT   5.24   5.11   5.12   5.51   5.44   5.31   4.71   4.67   4.70   4.65   4.64   4.65   4.63   4.62   4.60   4.61   4.58   4.59   4.58   4.59

# Checking swapping
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  E    33_A      E    33_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  F    46_A      F    46_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    51_A      E    51_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    85_A      D    85_A
#   possible swapping detected:  Y   104_A      Y   104_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     2.302     0    0.540   0.540     3.491   63.095   63.095
LGA    E     4_A      E     4_A     2.299     0    0.079   1.061     5.181   64.762   53.545
LGA    E     5_A      E     5_A     2.112     0    0.082   0.404     2.277   66.786   69.259
LGA    E     6_A      E     6_A     2.084     0    0.038   0.996     3.845   68.810   61.693
LGA    R     7_A      R     7_A     1.676     0    0.033   1.240     5.246   77.143   59.870
LGA    F     8_A      F     8_A     1.301     0    0.051   1.256     7.292   81.429   52.684
LGA    R     9_A      R     9_A     1.220     0    0.064   1.405     7.544   81.429   63.074
LGA    A    10_A      A    10_A     1.062     0    0.070   0.069     1.270   81.429   81.429
LGA    Y    11_A      Y    11_A     1.145     0    0.048   0.264     2.817   83.690   73.929
LGA    Y    12_A      Y    12_A     1.174     0    0.050   0.307     3.464   81.429   71.270
LGA    E    13_A      E    13_A     1.290     0    0.065   0.328     1.632   83.690   80.529
LGA    R    14_A      R    14_A     1.193     0    0.038   0.716     3.329   83.690   67.619
LGA    Y    15_A      Y    15_A     1.061     0    0.050   0.208     1.713   85.952   80.794
LGA    F    16_A      F    16_A     0.739     0    0.069   0.787     4.278   88.214   67.836
LGA    A    17_A      A    17_A     1.305     0    0.049   0.051     1.687   83.690   81.524
LGA    A    18_A      A    18_A     1.226     0    0.042   0.043     1.302   81.429   81.429
LGA    L    19_A      L    19_A     0.752     0    0.088   1.402     3.195   83.810   76.667
LGA    A    20_A      A    20_A     1.705     0    0.072   0.070     2.266   72.976   72.952
LGA    A    21_A      A    21_A     1.973     0    0.164   0.163     2.185   72.857   71.238
LGA    R    22_A      R    22_A     1.486     0    0.060   0.855     3.222   79.286   73.333
LGA    D    23_A      D    23_A     1.408     0    0.058   0.138     1.948   83.690   78.274
LGA    Y    24_A      Y    24_A     0.977     0    0.042   1.303    10.591   88.214   47.976
LGA    E    25_A      E    25_A     1.254     0    0.084   0.814     1.753   79.286   81.534
LGA    T    26_A      T    26_A     1.177     0    0.020   1.081     2.733   81.429   76.735
LGA    L    27_A      L    27_A     1.139     0    0.040   0.084     1.754   79.405   81.548
LGA    L    28_A      L    28_A     1.990     0    0.093   1.311     5.163   68.810   64.048
LGA    E    29_A      E    29_A     2.410     0    0.046   0.840     4.718   60.952   54.392
LGA    I    30_A      I    30_A     2.967     0    0.474   1.355     7.239   50.357   43.988
LGA    L    31_A      L    31_A     2.459     0    0.627   0.862     5.003   64.881   56.369
LGA    R    32_A      R    32_A     4.315     0    0.596   1.219     8.813   25.357   20.433
LGA    E    33_A      E    33_A    10.356     0    0.095   0.621    15.961    1.786    0.794
LGA    F    34_A      F    34_A    10.379     0    0.679   1.381    14.430    2.619    0.952
LGA    G    35_A      G    35_A     7.555     0    0.655   0.655     8.693   10.119   10.119
LGA    V    36_A      V    36_A     7.283     0    0.157   0.990    10.236   12.976    7.823
LGA    A    37_A      A    37_A     3.609     0    0.693   0.623     4.480   43.333   42.095
LGA    K    38_A      K    38_A     3.666     0    0.049   1.296     4.487   45.000   46.455
LGA    L    39_A      L    39_A     3.451     0    0.055   1.178     4.005   45.119   48.512
LGA    V    40_A      V    40_A     4.436     0    0.036   1.051     6.532   34.286   33.129
LGA    L    41_A      L    41_A     4.481     0    0.246   0.553     5.014   40.357   37.381
LGA    N    42_A      N    42_A     5.245     0    0.392   1.129     7.809   18.214   35.238
LGA    G    43_A      G    43_A     9.068     0    0.617   0.617     9.068    6.429    6.429
LGA    R    44_A      R    44_A     5.295     0    0.052   1.353    10.999   24.286   18.312
LGA    E    45_A      E    45_A     3.870     0    0.107   0.667     5.840   50.595   38.466
LGA    F    46_A      F    46_A     2.025     0    0.123   0.284     3.272   60.952   59.307
LGA    A    47_A      A    47_A     2.184     0    0.700   0.641     3.810   63.452   62.190
LGA    S    48_A      S    48_A     0.335     0    0.095   0.138     1.643   92.857   87.619
LGA    P    49_A      P    49_A     1.260     0    0.053   0.391     2.870   83.690   76.803
LGA    E    50_A      E    50_A     1.284     0    0.042   1.345     6.500   81.429   59.894
LGA    E    51_A      E    51_A     0.928     0    0.045   1.142     4.506   83.690   74.550
LGA    A    52_A      A    52_A     1.441     0    0.037   0.059     1.839   77.143   78.000
LGA    V    53_A      V    53_A     1.920     0    0.076   0.993     3.696   77.143   65.714
LGA    Q    54_A      Q    54_A     1.211     0    0.043   1.360     5.146   81.429   66.402
LGA    W    55_A      W    55_A     1.336     0    0.035   1.591     6.586   81.429   61.769
LGA    A    56_A      A    56_A     1.571     0    0.057   0.072     1.719   75.000   74.571
LGA    R    57_A      R    57_A     1.181     0    0.049   1.647     7.367   81.429   61.861
LGA    D    58_A      D    58_A     1.238     0    0.054   0.150     2.125   77.381   78.333
LGA    T    59_A      T    59_A     2.441     0    0.674   0.955     4.591   57.976   58.707
LGA    G    60_A      G    60_A     1.802     0    0.353   0.353     2.601   66.905   66.905
LGA    L    61_A      L    61_A     3.159     0    0.147   0.943     5.879   57.262   45.298
LGA    R    62_A      R    62_A     2.328     0    0.095   1.095     7.270   55.476   40.779
LGA    F    63_A      F    63_A     3.859     0    0.403   0.986    11.854   61.905   25.844
LGA    L    64_A      L    64_A     3.003     0    0.616   1.442     7.573   50.476   34.226
LGA    R    65_A      R    65_A     2.355     0    0.060   1.377     4.062   70.952   58.442
LGA    L    66_A      L    66_A     2.001     0    0.079   1.000     6.328   61.071   47.024
LGA    I    67_A      I    67_A     2.630     0    0.632   0.964     4.714   54.643   52.500
LGA    R    68_A      R    68_A     2.339     0    0.109   1.355    12.246   65.238   29.004
LGA    E    69_A      E    69_A     3.456     0    0.311   0.560    11.085   65.357   32.116
LGA    R    70_A      R    70_A     3.609     0    0.027   1.118     6.235   46.667   41.126
LGA    Y    71_A      Y    71_A     3.258     0    0.052   0.219     3.693   51.786   48.373
LGA    E    72_A      E    72_A     3.110     0    0.232   0.971     4.279   50.119   47.884
LGA    D    73_A      D    73_A     5.270     0    0.582   1.267     8.887   30.238   18.929
LGA    G    74_A      G    74_A     6.837     0    0.721   0.721     7.470   12.500   12.500
LGA    V    75_A      V    75_A     6.127     0    0.073   1.061     9.932   16.190   13.197
LGA    Y    76_A      Y    76_A     7.127     0    0.069   1.305    15.183   11.667    4.008
LGA    T    77_A      T    77_A     6.130     0    0.246   1.002     8.802   16.190   14.558
LGA    V    78_A      V    78_A     6.543     0    0.060   1.040    10.965   19.524   12.585
LGA    E    79_A      E    79_A     4.974     0    0.148   0.848     9.500   26.310   16.878
LGA    D    80_A      D    80_A     5.117     0    0.199   0.935    10.531   26.310   16.012
LGA    I    81_A      I    81_A     4.207     0    0.091   1.440     7.292   34.405   29.167
LGA    V    82_A      V    82_A     5.876     0    0.163   1.095    10.459   27.619   16.531
LGA    S    83_A      S    83_A     3.756     0    0.119   0.631     7.657   25.833   31.984
LGA    R    84_A      R    84_A     6.792     0    0.550   0.991     9.224   14.167   10.216
LGA    D    85_A      D    85_A    10.577     0    0.553   1.230    14.945    1.071    0.536
LGA    D    86_A      D    86_A    11.743     0    0.310   1.265    15.250    0.000    0.000
LGA    G    87_A      G    87_A     7.880     0    0.665   0.665     9.120    7.976    7.976
LGA    R    88_A      R    88_A     6.412     0    0.085   1.378     8.646   15.357   14.113
LGA    Y    89_A      Y    89_A     6.237     0    0.145   1.215    14.321   16.190    7.619
LGA    Y    90_A      Y    90_A     5.095     0    0.151   0.991    13.733   31.667   14.484
LGA    R    91_A      R    91_A     4.030     0    0.144   0.715     4.581   47.262   46.710
LGA    H    92_A      H    92_A     3.191     0    0.150   1.293     5.245   46.667   42.476
LGA    T    93_A      T    93_A     3.133     0    0.119   1.032     6.024   55.476   46.531
LGA    S    94_A      S    94_A     2.497     0    0.061   0.642     3.572   57.262   56.190
LGA    T    95_A      T    95_A     2.921     0    0.126   1.137     6.502   59.048   48.095
LGA    L    96_A      L    96_A     2.216     0    0.128   0.533     4.778   64.762   53.512
LGA    R    97_A      R    97_A     4.102     0    0.120   1.093    12.857   37.619   17.186
LGA    R    98_A      R    98_A     4.306     0    0.184   1.131     6.304   29.762   36.364
LGA    Q    99_A      Q    99_A     7.496     0    0.046   1.001     9.391    9.762    6.614
LGA    P   100_A      P   100_A     9.675     0    0.061   0.066    10.547    0.595    0.544
LGA    D   101_A      D   101_A    10.472     0    0.554   0.494    11.274    1.548    1.131
LGA    G   102_A      G   102_A     9.041     0    0.695   0.695     9.942    7.619    7.619
LGA    S   103_A      S   103_A     7.421     0    0.051   0.594    10.292    6.905    4.683
LGA    Y   104_A      Y   104_A     5.364     0    0.077   1.233     9.959   26.190   19.087
LGA    V   105_A      V   105_A     5.948     0    0.079   1.071    10.043   25.476   15.306
LGA    Q   106_A      Q   106_A     3.142     0    0.588   0.470    10.725   51.786   28.466
LGA    Y   107_A      Y   107_A     3.189     0    0.080   1.254     6.277   51.786   47.659
LGA    S   108_A      S   108_A     3.055     0    0.044   0.623     3.361   50.000   55.238
LGA    Q   109_A      Q   109_A     3.143     0    0.060   0.612     6.860   53.571   37.513
LGA    L   110_A      L   110_A     2.607     0    0.116   1.134     3.068   57.143   66.488
LGA    E   111_A      E   111_A     2.489     0    0.130   0.661     3.713   60.952   60.741
LGA    L   112_A      L   112_A     2.678     0    0.115   0.989     5.948   57.262   48.512
LGA    L   113_A      L   113_A     3.596     0    0.229   0.914     5.588   37.976   42.560
LGA    G   114_A      G   114_A     4.774     0    0.071   0.071     7.119   23.929   23.929
LGA    S   115_A      S   115_A     9.346     0    0.093   0.717    11.006    5.000    3.333
LGA    G   116_A      G   116_A    11.227     0    0.283   0.283    11.372    0.000    0.000

# 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):     4.574          4.494                  5.483           49.777   43.226

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0     79    2.50    58.991    51.985     3.034

LGA_LOCAL      RMSD:   2.504  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.665  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   4.574  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.668285 * X  +   0.738466 * Y  +  -0.089795 * Z  + -15.069713
  Y_new =  -0.732012 * X  +   0.674290 * Y  +   0.097423 * Z  +  12.055238
  Z_new =   0.132492 * X  +   0.000625 * Y  +   0.991184 * Z  + -34.660614 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.830877 -0.132882  0.000630   [DEG:  -47.6057   -7.6136    0.0361 ]
ZXZ: -2.396915  0.132884  1.566080   [DEG: -137.3331    7.6137   89.7298 ]
 
# END of job
