
#######################################################
#                                                     #
#                        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:    98       3_A - 100_A       4.99     5.35
  LCS_AVERAGE:     79.81

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54       3_A - 56_A        1.96     6.90
  LCS_AVERAGE:     31.58

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28       3_A - 30_A        0.95     6.09
  LCS_AVERAGE:     12.71

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     28   54   98      6   23   29   39   43   49   54   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     E     4_A     E     4_A     28   54   98     12   23   29   39   43   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     E     5_A     E     5_A     28   54   98     12   23   31   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     E     6_A     E     6_A     28   54   98     12   23   31   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     R     7_A     R     7_A     28   54   98     12   23   31   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     F     8_A     F     8_A     28   54   98     12   23   31   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     R     9_A     R     9_A     28   54   98     12   23   31   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     A    10_A     A    10_A     28   54   98     12   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     Y    11_A     Y    11_A     28   54   98     10   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     Y    12_A     Y    12_A     28   54   98      6   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     E    13_A     E    13_A     28   54   98     10   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     R    14_A     R    14_A     28   54   98      8   22   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     Y    15_A     Y    15_A     28   54   98     10   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     F    16_A     F    16_A     28   54   98     12   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     A    17_A     A    17_A     28   54   98     12   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     A    18_A     A    18_A     28   54   98     12   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     L    19_A     L    19_A     28   54   98     12   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     A    20_A     A    20_A     28   54   98     12   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     A    21_A     A    21_A     28   54   98      8   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     R    22_A     R    22_A     28   54   98      8   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     D    23_A     D    23_A     28   54   98      9   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     Y    24_A     Y    24_A     28   54   98      5   22   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     E    25_A     E    25_A     28   54   98      5   22   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     T    26_A     T    26_A     28   54   98      9   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     L    27_A     L    27_A     28   54   98      9   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     L    28_A     L    28_A     28   54   98      9   22   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     E    29_A     E    29_A     28   54   98      9   22   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     I    30_A     I    30_A     28   54   98      9   22   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     L    31_A     L    31_A     25   54   98      9   22   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     R    32_A     R    32_A     25   54   98      9   22   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     E    33_A     E    33_A     25   54   98      4   17   31   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     F    34_A     F    34_A     25   54   98      3   17   31   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     G    35_A     G    35_A     25   54   98      9   22   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     V    36_A     V    36_A     25   54   98      4    8   14   35   44   49   55   60   66   77   84   91   97  101  106  109  110  112  113  114 
LCS_GDT     A    37_A     A    37_A      5   54   98      4    4   13   14   26   45   54   58   64   73   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     K    38_A     K    38_A     10   54   98      6   20   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     L    39_A     L    39_A     10   54   98      6   19   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     V    40_A     V    40_A     10   54   98      4   17   30   39   44   49   55   58   64   71   80   90   96  101  106  109  110  112  113  114 
LCS_GDT     L    41_A     L    41_A     10   54   98      2   20   31   39   44   49   55   58   64   71   78   90   96  101  106  109  110  112  113  114 
LCS_GDT     N    42_A     N    42_A     10   54   98      0   18   29   36   44   49   55   58   64   71   77   90   96  101  106  109  110  112  113  114 
LCS_GDT     G    43_A     G    43_A     10   54   98      3   18   31   39   44   49   55   58   64   71   80   90   96  101  106  109  110  112  113  114 
LCS_GDT     R    44_A     R    44_A     10   54   98      7   19   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     E    45_A     E    45_A     10   54   98      4   20   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     F    46_A     F    46_A     10   54   98      7   22   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     A    47_A     A    47_A     10   54   98      4   16   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     S    48_A     S    48_A     12   54   98      3   13   29   37   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     P    49_A     P    49_A     12   54   98      7   11   29   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     E    50_A     E    50_A     12   54   98      7   19   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     E    51_A     E    51_A     12   54   98      7   22   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     A    52_A     A    52_A     12   54   98      7   20   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     V    53_A     V    53_A     12   54   98      7   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     Q    54_A     Q    54_A     12   54   98      7   11   18   38   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     W    55_A     W    55_A     12   54   98      7   11   27   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     A    56_A     A    56_A     12   54   98      6   11   15   20   32   45   54   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     R    57_A     R    57_A     12   52   98      6   11   15   18   25   34   44   54   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     D    58_A     D    58_A     12   19   98      4   11   15   18   27   31   40   48   57   67   77   88   97  101  106  109  110  112  113  114 
LCS_GDT     T    59_A     T    59_A     12   19   98      4   11   15   18   27   31   41   53   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     G    60_A     G    60_A     12   19   98      4    8    8   12   14   17   23   31   40   50   68   78   90   95  101  106  110  112  113  114 
LCS_GDT     L    61_A     L    61_A      3   19   98      3    3   14   21   31   41   50   57   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     R    62_A     R    62_A      3   15   98      0    8   15   23   31   44   53   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     F    63_A     F    63_A      3    4   98      3    3    3    7   23   30   51   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     L    64_A     L    64_A      3    4   98      3    3    3    3    4    4    5    6    9   66   77   89   96   99  103  106  110  112  113  114 
LCS_GDT     R    65_A     R    65_A      3    4   98      3    3   14   23   39   48   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     L    66_A     L    66_A      3    4   98      3    5   15   32   43   48   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     I    67_A     I    67_A      3    4   98      3    3    5    5    6   32   40   53   63   72   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     R    68_A     R    68_A      3    4   98      3    3    5   10   14   42   49   55   59   68   74   84   95   99  106  109  110  112  113  114 
LCS_GDT     E    69_A     E    69_A      3    4   98      0    3    3    4   24   28   32   48   57   62   69   82   90   98  106  109  110  112  113  114 
LCS_GDT     R    70_A     R    70_A      3    5   98      3    3    4   16   24   28   32   50   57   59   65   77   87   98  106  109  110  112  113  114 
LCS_GDT     Y    71_A     Y    71_A      3    5   98      3    3    4    8   18   28   32   33   53   58   64   76   87   98  106  109  110  112  113  114 
LCS_GDT     E    72_A     E    72_A      3    5   98      3    3    3    4    5    6   12   14   23   29   45   51   62   71   80   98  105  110  113  114 
LCS_GDT     D    73_A     D    73_A      3    6   98      0    3    3    5    6   10   12   21   23   29   53   61   62   72   84   99  105  110  113  114 
LCS_GDT     G    74_A     G    74_A      3    6   98      0    3    4    6   10   10   14   22   34   54   62   77   86   97  106  109  110  112  113  114 
LCS_GDT     V    75_A     V    75_A      5   21   98      3    4   12   17   22   38   47   57   65   73   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     Y    76_A     Y    76_A      5   23   98      5   23   32   39   44   49   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     T    77_A     T    77_A      5   23   98      4    8   23   38   44   48   55   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     V    78_A     V    78_A      5   23   98      4    8   14   24   37   47   51   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     E    79_A     E    79_A      5   23   98      4    7   15   20   27   33   40   52   63   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     D    80_A     D    80_A      5   23   98      4    7   14   20   25   31   37   44   50   64   73   88   97  101  104  109  110  112  113  114 
LCS_GDT     I    81_A     I    81_A     12   23   98      5    8   14   20   27   38   45   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     V    82_A     V    82_A     12   23   98      3    9   15   20   25   31   38   49   57   72   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     S    83_A     S    83_A     12   23   98      4    9   15   20   25   31   37   40   49   66   76   88   97  101  106  109  110  112  113  114 
LCS_GDT     R    84_A     R    84_A     12   23   98      4    9   15   20   25   31   36   40   44   57   73   81   93  101  104  109  110  112  113  114 
LCS_GDT     D    85_A     D    85_A     12   23   98      4    9   15   20   25   31   35   39   44   53   69   81   89  101  103  108  110  112  112  114 
LCS_GDT     D    86_A     D    86_A     12   23   98      4    9   15   20   25   31   45   56   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     G    87_A     G    87_A     12   23   98      3    9   15   20   25   31   40   50   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     R    88_A     R    88_A     12   23   98      3    9   15   21   30   38   48   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     Y    89_A     Y    89_A     12   25   98      5    9   15   20   27   36   48   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     Y    90_A     Y    90_A     12   25   98      5    9   15   26   35   43   53   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     R    91_A     R    91_A     12   25   98      5    9   15   26   36   44   51   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     H    92_A     H    92_A     12   25   98      7   16   23   31   39   44   54   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     T    93_A     T    93_A     14   25   98      5   10   22   30   39   44   53   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     S    94_A     S    94_A     14   25   98      7   16   27   31   39   45   54   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     T    95_A     T    95_A     14   25   98      7   16   27   31   39   45   54   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     L    96_A     L    96_A     14   25   98      6   16   27   31   39   45   54   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     R    97_A     R    97_A     14   25   98      5   11   15   30   39   44   51   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     R    98_A     R    98_A     14   25   98      4    9   15   20   39   44   51   60   66   76   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     Q    99_A     Q    99_A     14   25   98      3   11   15   20   27   33   50   57   65   71   80   91   97  100  106  109  110  112  113  114 
LCS_GDT     P   100_A     P   100_A     14   25   98      3    6   14   18   26   31   38   47   53   67   71   81   88   98  106  109  110  112  113  114 
LCS_GDT     D   101_A     D   101_A     14   25   48      5   11   15   20   27   31   40   47   59   67   71   81   87   98  106  109  110  112  113  114 
LCS_GDT     G   102_A     G   102_A     14   25   48      4   11   15   20   27   33   41   57   65   71   80   90   97  100  106  109  110  112  113  114 
LCS_GDT     S   103_A     S   103_A     14   25   48      4   11   15   20   27   33   50   57   65   71   80   91   97  101  106  109  110  112  113  114 
LCS_GDT     Y   104_A     Y   104_A     14   25   48      4   11   15   20   32   44   51   60   66   76   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     V   105_A     V   105_A     14   25   48      4   11   15   20   39   44   51   60   66   76   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     Q   106_A     Q   106_A     14   25   48      4   13   22   30   39   44   51   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     Y   107_A     Y   107_A      6   25   48      3    6   11   19   27   31   38   50   59   70   80   91   97  101  106  109  110  112  113  114 
LCS_GDT     S   108_A     S   108_A      6   25   48      3    7   20   30   39   44   51   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     Q   109_A     Q   109_A      6   25   48      3    6   14   20   25   31   38   45   56   70   79   91   97  101  106  109  110  112  113  114 
LCS_GDT     L   110_A     L   110_A      6   25   48      3    6   13   20   39   44   51   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     E   111_A     E   111_A      5   25   48      3    8   15   30   39   44   51   59   66   71   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     L   112_A     L   112_A      5   25   48      3    6   15   20   32   44   51   60   66   71   84   91   97  101  106  109  110  112  113  114 
LCS_GDT     L   113_A     L   113_A      5   25   48      5    8   15   20   39   44   51   57   63   71   76   88   97  101  106  109  110  112  113  114 
LCS_GDT     G   114_A     G   114_A      3   25   48      1    9   15   20   32   42   51   60   66   77   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     S   115_A     S   115_A      3   10   48      1    9   15   20   27   33   51   60   66   75   85   91   97  101  106  109  110  112  113  114 
LCS_GDT     G   116_A     G   116_A      0   10   48      0    0    5   14   20   24   37   46   56   67   79   88   97  101  105  109  110  112  113  114 
LCS_AVERAGE  LCS_A:  41.37  (  12.71   31.58   79.81 )

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     12     23     32     39     44     49     55     60     66     77     85     91     97    101    106    109    110    112    113    114 
GDT PERCENT_AT  10.53  20.18  28.07  34.21  38.60  42.98  48.25  52.63  57.89  67.54  74.56  79.82  85.09  88.60  92.98  95.61  96.49  98.25  99.12 100.00
GDT RMS_LOCAL    0.33   0.68   0.98   1.20   1.45   1.64   1.92   2.45   2.84   3.29   3.59   3.82   4.06   4.26   4.71   4.81   4.82   4.94   5.13   5.19
GDT RMS_ALL_AT   6.16   6.08   7.08   7.20   6.95   6.96   6.79   5.90   5.56   5.53   5.37   5.32   5.33   5.43   5.20   5.20   5.22   5.20   5.19   5.19

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  Y    12_A      Y    12_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  D    23_A      D    23_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  E    33_A      E    33_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    51_A      E    51_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  D    86_A      D    86_A
#   possible swapping detected:  D   101_A      D   101_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     4.212     0    0.531   0.531     5.773   41.429   41.429
LGA    E     4_A      E     4_A     3.511     0    0.081   1.139     5.568   46.667   41.005
LGA    E     5_A      E     5_A     3.225     0    0.050   0.148     3.936   51.786   48.571
LGA    E     6_A      E     6_A     2.958     0    0.041   0.613     4.428   55.357   49.471
LGA    R     7_A      R     7_A     2.655     0    0.047   0.860     7.818   60.952   38.052
LGA    F     8_A      F     8_A     2.300     0    0.053   0.420     2.697   64.762   63.377
LGA    R     9_A      R     9_A     2.226     0    0.056   1.122     7.212   68.810   49.827
LGA    A    10_A      A    10_A     1.133     0    0.072   0.068     1.581   83.810   85.143
LGA    Y    11_A      Y    11_A     1.280     0    0.047   1.437     8.845   81.429   49.127
LGA    Y    12_A      Y    12_A     1.447     0    0.101   1.302     8.588   88.333   52.698
LGA    E    13_A      E    13_A     0.816     0    0.053   0.960     4.738   95.238   75.026
LGA    R    14_A      R    14_A     0.531     0    0.047   1.175     2.774   95.238   78.918
LGA    Y    15_A      Y    15_A     0.442     0    0.067   0.195     1.769  100.000   91.508
LGA    F    16_A      F    16_A     0.754     0    0.069   1.109     5.100   92.857   71.558
LGA    A    17_A      A    17_A     1.285     0    0.053   0.051     1.424   83.690   83.238
LGA    A    18_A      A    18_A     1.339     0    0.069   0.072     1.339   81.429   81.429
LGA    L    19_A      L    19_A     1.133     0    0.048   1.377     3.756   79.286   69.762
LGA    A    20_A      A    20_A     1.445     0    0.073   0.078     1.872   77.143   78.000
LGA    A    21_A      A    21_A     1.790     0    0.168   0.182     1.863   75.000   74.571
LGA    R    22_A      R    22_A     1.725     0    0.051   1.036     3.743   72.857   68.009
LGA    D    23_A      D    23_A     1.785     0    0.036   0.176     1.916   72.857   72.857
LGA    Y    24_A      Y    24_A     1.971     0    0.040   1.290    12.128   72.857   35.992
LGA    E    25_A      E    25_A     2.046     0    0.055   1.282     4.652   68.810   60.476
LGA    T    26_A      T    26_A     1.014     0    0.053   0.053     1.558   83.810   86.735
LGA    L    27_A      L    27_A     0.724     0    0.059   1.395     3.592   90.476   77.202
LGA    L    28_A      L    28_A     0.651     0    0.056   0.173     0.933   90.476   90.476
LGA    E    29_A      E    29_A     1.131     0    0.114   0.266     3.754   88.214   73.757
LGA    I    30_A      I    30_A     1.088     0    0.093   0.111     1.679   81.548   82.619
LGA    L    31_A      L    31_A     1.544     0    0.076   0.144     2.366   72.976   73.988
LGA    R    32_A      R    32_A     1.967     0    0.298   1.483     4.736   66.905   64.329
LGA    E    33_A      E    33_A     2.230     0    0.139   0.598     3.799   66.786   61.587
LGA    F    34_A      F    34_A     2.632     0    0.671   1.332     5.309   49.524   47.792
LGA    G    35_A      G    35_A     2.670     0    0.678   0.678     3.094   55.357   55.357
LGA    V    36_A      V    36_A     3.382     0    0.411   0.540     6.043   55.714   45.782
LGA    A    37_A      A    37_A     4.492     0    0.332   0.313     6.049   43.452   38.190
LGA    K    38_A      K    38_A     2.852     0    0.118   0.376     3.407   57.143   57.302
LGA    L    39_A      L    39_A     2.803     0    0.098   1.259     3.757   53.571   55.536
LGA    V    40_A      V    40_A     4.427     0    0.135   1.066     5.664   35.833   34.218
LGA    L    41_A      L    41_A     4.607     0    0.536   1.441     5.187   31.548   37.619
LGA    N    42_A      N    42_A     4.730     0    0.591   0.557     7.722   45.833   30.000
LGA    G    43_A      G    43_A     4.225     0    0.081   0.081     4.953   40.476   40.476
LGA    R    44_A      R    44_A     2.900     0    0.098   0.924     6.777   51.905   42.121
LGA    E    45_A      E    45_A     1.992     0    0.087   0.604     5.730   79.405   55.979
LGA    F    46_A      F    46_A     1.644     0    0.073   0.261     2.998   70.833   63.506
LGA    A    47_A      A    47_A     1.708     0    0.071   0.073     2.492   72.976   71.333
LGA    S    48_A      S    48_A     3.590     0    0.170   0.655     4.948   55.595   47.540
LGA    P    49_A      P    49_A     2.479     0    0.117   0.143     4.313   69.524   57.483
LGA    E    50_A      E    50_A     1.819     0    0.036   1.209     2.905   72.857   68.519
LGA    E    51_A      E    51_A     2.133     0    0.047   0.926     4.744   70.952   55.873
LGA    A    52_A      A    52_A     0.707     0    0.037   0.048     1.162   88.214   86.857
LGA    V    53_A      V    53_A     1.006     0    0.065   0.064     2.368   77.381   80.408
LGA    Q    54_A      Q    54_A     2.696     0    0.026   1.172     5.215   59.286   47.249
LGA    W    55_A      W    55_A     1.920     0    0.031   1.171     6.942   65.119   49.830
LGA    A    56_A      A    56_A     3.321     0    0.046   0.051     5.007   44.524   45.619
LGA    R    57_A      R    57_A     5.234     0    0.091   1.532     8.369   22.619   19.004
LGA    D    58_A      D    58_A     6.804     0    0.114   0.260     8.472   12.381   11.429
LGA    T    59_A      T    59_A     5.880     0    0.098   0.117     7.856   15.000   26.327
LGA    G    60_A      G    60_A     8.841     0    0.317   0.317     8.841    5.000    5.000
LGA    L    61_A      L    61_A     4.974     0    0.584   0.588     7.442   25.357   21.786
LGA    R    62_A      R    62_A     4.114     0    0.577   0.859     9.195   41.905   24.632
LGA    F    63_A      F    63_A     5.894     0    0.613   1.254    11.892   17.976    8.312
LGA    L    64_A      L    64_A     6.656     0    0.134   1.380    12.132   20.714   11.012
LGA    R    65_A      R    65_A     3.014     0    0.600   1.321     7.387   61.905   36.753
LGA    L    66_A      L    66_A     3.353     0    0.626   1.312    10.188   51.786   28.988
LGA    I    67_A      I    67_A     4.663     0    0.040   0.663     8.249   36.071   23.274
LGA    R    68_A      R    68_A     6.343     0    0.594   1.342    17.725   21.548    7.965
LGA    E    69_A      E    69_A     8.500     0    0.636   1.121    13.007    5.119    2.381
LGA    R    70_A      R    70_A     9.160     0    0.629   1.526     9.561    1.548    6.407
LGA    Y    71_A      Y    71_A     9.968     0    0.155   1.339    14.372    0.238    0.198
LGA    E    72_A      E    72_A    14.556     0    0.644   1.172    18.485    0.000    0.000
LGA    D    73_A      D    73_A    14.000     0    0.099   0.920    18.591    0.000    0.000
LGA    G    74_A      G    74_A    11.441     0    0.662   0.662    12.056    0.119    0.119
LGA    V    75_A      V    75_A     6.224     0    0.528   0.554     8.975   31.190   23.129
LGA    Y    76_A      Y    76_A     2.619     0    0.427   0.463     7.099   64.286   48.492
LGA    T    77_A      T    77_A     1.653     0    0.050   0.111     3.128   69.405   65.306
LGA    V    78_A      V    78_A     4.068     0    0.100   0.101     5.756   36.190   34.354
LGA    E    79_A      E    79_A     6.572     0    0.139   1.175     9.525   14.286    8.889
LGA    D    80_A      D    80_A     8.572     0    0.119   1.026    11.729   10.357    5.298
LGA    I    81_A      I    81_A     6.319     0    0.518   0.665     8.841    9.286   13.810
LGA    V    82_A      V    82_A     7.391     0    0.120   1.123     7.691   10.952   14.218
LGA    S    83_A      S    83_A     9.048     0    0.148   0.525    11.703    1.071    0.714
LGA    R    84_A      R    84_A     8.823     0    0.064   1.376    15.346    3.810    2.078
LGA    D    85_A      D    85_A    10.896     0    0.089   1.186    16.010    0.238    0.119
LGA    D    86_A      D    86_A     7.069     0    0.237   1.229     8.053    8.690   21.012
LGA    G    87_A      G    87_A     8.381     0    0.030   0.030     8.381    5.952    5.952
LGA    R    88_A      R    88_A     6.025     0    0.023   1.296     6.957   16.190   24.892
LGA    Y    89_A      Y    89_A     6.958     0    0.121   1.363    18.191   16.190    5.794
LGA    Y    90_A      Y    90_A     5.175     0    0.067   0.214     5.877   22.619   45.238
LGA    R    91_A      R    91_A     5.867     0    0.163   1.664    12.792   30.833   13.506
LGA    H    92_A      H    92_A     3.615     0    0.120   0.987     4.942   37.262   42.952
LGA    T    93_A      T    93_A     4.362     0    0.110   0.142     5.896   38.690   31.973
LGA    S    94_A      S    94_A     3.063     0    0.564   0.552     3.983   46.667   50.159
LGA    T    95_A      T    95_A     3.429     0    0.116   0.127     4.609   48.333   42.721
LGA    L    96_A      L    96_A     3.578     0    0.047   0.761     6.185   43.452   41.012
LGA    R    97_A      R    97_A     6.013     0    0.063   0.978    10.055   20.714   11.861
LGA    R    98_A      R    98_A     6.963     0    0.121   1.581    11.958    9.643    5.498
LGA    Q    99_A      Q    99_A     9.863     0    0.211   1.059    10.849    0.833    0.688
LGA    P   100_A      P   100_A    13.628     0    0.489   0.554    15.492    0.000    0.000
LGA    D   101_A      D   101_A    13.996     0    0.256   1.281    15.712    0.000    0.000
LGA    G   102_A      G   102_A    10.115     0    0.471   0.471    11.384    4.048    4.048
LGA    S   103_A      S   103_A     9.497     0    0.294   0.357    10.402    0.714    0.556
LGA    Y   104_A      Y   104_A     7.258     0    0.056   1.397     8.765    6.786   12.381
LGA    V   105_A      V   105_A     7.568     0    0.493   0.544     9.042    9.405    6.939
LGA    Q   106_A      Q   106_A     5.665     0    0.027   0.194     9.401   14.762   11.376
LGA    Y   107_A      Y   107_A     7.363     0    0.175   1.113    14.008   10.952    3.849
LGA    S   108_A      S   108_A     5.908     0    0.541   0.857     6.582   21.429   19.365
LGA    Q   109_A      Q   109_A     6.787     0    0.326   1.279    13.841   19.524    8.995
LGA    L   110_A      L   110_A     5.408     0    0.416   0.535     6.817   18.452   31.964
LGA    E   111_A      E   111_A     6.995     0    0.175   1.042    10.828    7.976    7.989
LGA    L   112_A      L   112_A     8.786     0    0.183   1.491    14.072    4.286    2.202
LGA    L   113_A      L   113_A     9.217     0    0.608   1.394    11.680    0.833    0.536
LGA    G   114_A      G   114_A     8.798     0    0.215   0.215     8.798    4.881    4.881
LGA    S   115_A      S   115_A     9.306     0    0.594   0.538     9.339    2.857    2.619
LGA    G   116_A      G   116_A    11.675     0    0.153   0.153    14.034    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):     5.188          5.152                  6.180           41.773   36.809

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0     60    2.45    50.658    47.407     2.349

LGA_LOCAL      RMSD:   2.455  Number of atoms:   60  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.900  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   5.188  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.728774 * X  +   0.575752 * Y  +  -0.370673 * Z  +  -4.108732
  Y_new =   0.007928 * X  +   0.534191 * Y  +   0.845326 * Z  + -41.394997
  Z_new =   0.684709 * X  +  -0.618990 * Y  +   0.384740 * Z  + -34.556965 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.010878 -0.754204 -1.014674   [DEG:    0.6233  -43.2127  -58.1365 ]
ZXZ: -2.728346  1.175870  2.305828   [DEG: -156.3227   67.3724  132.1142 ]
 
# END of job
