
#######################################################
#                                                     #
#                        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:    85       3_A - 87_A        4.94     7.03
  LCS_AVERAGE:     64.67

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31       3_A - 33_A        1.87     6.78
  LCS_AVERAGE:     16.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27       5_A - 31_A        0.98     6.77
  LCS_AVERAGE:     11.67

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     25   31   85      6   12   19   29   38   43   47   58   69   71   75   76   84   89   97  102  106  108  112  113 
LCS_GDT     E     4_A     E     4_A     26   31   85      9   15   23   32   40   46   58   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     E     5_A     E     5_A     27   31   85      9   17   27   38   41   49   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     E     6_A     E     6_A     27   31   85      9   17   29   38   41   51   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     R     7_A     R     7_A     27   31   85      9   17   27   38   41   51   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     F     8_A     F     8_A     27   31   85      9   17   29   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     R     9_A     R     9_A     27   31   85     10   24   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     A    10_A     A    10_A     27   31   85     10   25   31   38   42   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     Y    11_A     Y    11_A     27   31   85      9   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     Y    12_A     Y    12_A     27   31   85      9   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     E    13_A     E    13_A     27   31   85     12   25   31   38   42   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     R    14_A     R    14_A     27   31   85     12   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     Y    15_A     Y    15_A     27   31   85     12   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     F    16_A     F    16_A     27   31   85     11   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     A    17_A     A    17_A     27   31   85     12   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     A    18_A     A    18_A     27   31   85     12   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     L    19_A     L    19_A     27   31   85     12   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     A    20_A     A    20_A     27   31   85     12   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     A    21_A     A    21_A     27   31   85     12   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     R    22_A     R    22_A     27   31   85     12   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     D    23_A     D    23_A     27   31   85     12   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     Y    24_A     Y    24_A     27   31   85      5   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     E    25_A     E    25_A     27   31   85     11   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     T    26_A     T    26_A     27   31   85      5   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     L    27_A     L    27_A     27   31   85      5   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     L    28_A     L    28_A     27   31   85      5   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     E    29_A     E    29_A     27   31   85      5   23   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     I    30_A     I    30_A     27   31   85      5   22   31   38   41   50   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     L    31_A     L    31_A     27   31   85     10   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     R    32_A     R    32_A     25   31   85      4    4   20   33   39   46   47   59   66   69   74   77   85   89   97  102  106  108  112  113 
LCS_GDT     E    33_A     E    33_A      4   31   85      4    4    4    7   13   16   28   33   44   51   58   68   79   81   88  100  105  108  112  113 
LCS_GDT     F    34_A     F    34_A      5    7   85      4    5    5    8    9   11   12   17   24   38   42   50   57   65   73   80   85   91  100  104 
LCS_GDT     G    35_A     G    35_A      5    7   85      4    5    9   19   24   32   41   47   51   60   69   76   79   88   97  102  106  108  112  113 
LCS_GDT     V    36_A     V    36_A      5    7   85      3    5   13   19   24   34   41   47   51   62   69   76   79   88   97  102  106  108  112  113 
LCS_GDT     A    37_A     A    37_A      5    7   85      3    5    8   12   15   19   26   31   43   55   69   76   79   81   97  102  106  108  112  113 
LCS_GDT     K    38_A     K    38_A      5    7   85      3    5    8   12   16   26   34   42   51   62   69   76   79   83   97  102  106  108  112  113 
LCS_GDT     L    39_A     L    39_A      4    7   85      3    5    8   13   22   27   36   42   51   62   69   76   79   85   97  102  106  108  112  113 
LCS_GDT     V    40_A     V    40_A      4    7   85      3    5    8   13   20   27   36   42   51   62   69   76   79   81   97  102  106  108  112  113 
LCS_GDT     L    41_A     L    41_A      4    7   85      3    7   13   18   23   34   42   47   52   62   69   76   79   89   97  102  106  108  112  113 
LCS_GDT     N    42_A     N    42_A      4   13   85      3    3   13   19   33   36   41   47   51   62   69   76   79   84   97  102  106  108  112  113 
LCS_GDT     G    43_A     G    43_A      4   13   85      3    5    5    7    7   10   24   31   46   54   63   74   79   81   88   98  105  108  112  113 
LCS_GDT     R    44_A     R    44_A     10   18   85      3    5   20   36   41   46   54   65   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     E    45_A     E    45_A     16   18   85      3    9   11   15   30   46   55   65   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     F    46_A     F    46_A     16   18   85      4   11   30   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     A    47_A     A    47_A     16   18   85      4   10   30   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     S    48_A     S    48_A     16   18   85      4   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     P    49_A     P    49_A     16   18   85      5   13   25   35   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     E    50_A     E    50_A     16   18   85      6   13   24   36   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     E    51_A     E    51_A     16   18   85     12   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     A    52_A     A    52_A     16   18   85      9   13   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     V    53_A     V    53_A     16   18   85      9   13   17   32   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     Q    54_A     Q    54_A     16   18   85      9   13   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     W    55_A     W    55_A     16   18   85     12   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     A    56_A     A    56_A     16   18   85      9   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     R    57_A     R    57_A     16   18   85      9   25   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     D    58_A     D    58_A     16   18   85      9   22   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     T    59_A     T    59_A     16   18   85      9   13   25   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     G    60_A     G    60_A     16   18   85      9   13   31   38   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     L    61_A     L    61_A      3   18   85      3    4    7   14   19   26   37   46   52   62   69   77   85   89   97  102  106  108  112  113 
LCS_GDT     R    62_A     R    62_A      4   13   85      3    5    9   12   16   20   23   29   40   49   58   73   85   89   97  102  106  108  112  113 
LCS_GDT     F    63_A     F    63_A      4   13   85      3    7    9   12   16   20   22   29   40   50   58   73   85   89   97  102  106  108  112  113 
LCS_GDT     L    64_A     L    64_A      5   13   85      5    7    9   12   18   24   33   42   49   62   69   76   85   89   97  102  106  108  112  113 
LCS_GDT     R    65_A     R    65_A      5   13   85      3    5    9   12   15   24   33   42   49   62   69   76   85   89   97  102  106  108  112  113 
LCS_GDT     L    66_A     L    66_A      5   13   85      3    5    8   14   19   25   33   42   50   62   69   76   83   89   97  102  106  108  112  113 
LCS_GDT     I    67_A     I    67_A      6   13   85      3    5    7   14   17   24   33   42   51   62   69   76   85   89   97  102  106  108  112  113 
LCS_GDT     R    68_A     R    68_A      6   13   85      5    7    9   14   17   24   33   42   51   61   69   76   85   89   97  102  106  108  112  113 
LCS_GDT     E    69_A     E    69_A      6   13   85      5    7   10   14   19   25   33   42   52   62   69   77   85   89   97  102  106  108  112  113 
LCS_GDT     R    70_A     R    70_A      6   13   85      5    7    9   14   19   25   33   42   51   62   69   76   85   89   97  102  106  108  112  113 
LCS_GDT     Y    71_A     Y    71_A      6   13   85      5    7    9   14   19   25   33   42   52   62   69   76   85   89   97  102  106  108  112  113 
LCS_GDT     E    72_A     E    72_A      6   13   85      4    5    9   13   19   25   33   42   49   58   69   76   79   81   97  102  106  108  112  113 
LCS_GDT     D    73_A     D    73_A      4   13   85      4    5    8   13   18   25   33   42   49   58   69   76   79   81   89  100  106  108  112  113 
LCS_GDT     G    74_A     G    74_A      6   13   85      4    6    8   13   19   25   33   42   49   56   69   76   79   81   97  102  106  108  112  113 
LCS_GDT     V    75_A     V    75_A      6   13   85      5    6    8   11   15   25   32   41   47   54   64   74   79   81   97  102  106  108  112  113 
LCS_GDT     Y    76_A     Y    76_A      6   13   85      5    6    8   12   16   22   32   42   49   58   69   76   79   81   93  102  106  108  112  113 
LCS_GDT     T    77_A     T    77_A      6   13   85      5    6    8   12   16   25   33   42   49   58   69   76   79   81   97  102  106  108  112  113 
LCS_GDT     V    78_A     V    78_A      6   13   85      5    6    6   12   16   20   27   37   47   56   69   76   79   81   97  102  106  108  112  113 
LCS_GDT     E    79_A     E    79_A      6   13   85      5    6    8   12   16   21   27   36   47   55   69   76   79   81   97  102  106  108  112  113 
LCS_GDT     D    80_A     D    80_A      5   13   85      3    4    8   12   16   19   22   36   47   55   69   76   79   81   97  102  106  108  112  113 
LCS_GDT     I    81_A     I    81_A      5   13   85      5    7    9   14   23   34   40   46   52   62   69   76   85   89   97  102  106  108  112  113 
LCS_GDT     V    82_A     V    82_A      5   13   85      3    5    9   12   16   20   30   39   49   62   69   76   85   89   97  102  106  108  112  113 
LCS_GDT     S    83_A     S    83_A      5    8   85      1    4    8   11   16   22   45   49   63   70   74   77   85   89   97  102  106  108  112  113 
LCS_GDT     R    84_A     R    84_A      5    8   85      0    4    5   10   16   20   28   49   52   68   74   77   85   89   97  102  106  108  112  113 
LCS_GDT     D    85_A     D    85_A      4   12   85      1    4    4    7   10   22   32   44   51   61   73   77   85   89   97  102  106  108  112  113 
LCS_GDT     D    86_A     D    86_A      4   13   85      2    5   11   21   27   39   52   66   69   71   75   77   85   89   93  102  106  108  112  113 
LCS_GDT     G    87_A     G    87_A      4   13   85      3    4    4    4   27   39   60   66   69   71   75   77   79   88   93   98  106  108  112  113 
LCS_GDT     R    88_A     R    88_A     11   17   54      6   12   24   35   43   52   61   66   69   71   75   77   85   89   93  102  106  108  112  113 
LCS_GDT     Y    89_A     Y    89_A     11   17   53      6   14   24   35   43   52   61   66   69   71   75   77   84   89   93  102  106  108  112  113 
LCS_GDT     Y    90_A     Y    90_A     11   17   49      7   14   24   35   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     R    91_A     R    91_A     11   17   48      7   14   24   35   43   52   61   66   69   71   75   77   85   89   95  102  106  108  112  113 
LCS_GDT     H    92_A     H    92_A     11   17   39      7   14   24   35   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     T    93_A     T    93_A     11   17   39      7   14   24   35   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     S    94_A     S    94_A     11   17   39      7   14   24   35   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     T    95_A     T    95_A     11   17   39      7   14   24   35   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     L    96_A     L    96_A     11   17   39      6   14   19   33   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     R    97_A     R    97_A     11   17   39      5   14   19   30   41   49   60   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     R    98_A     R    98_A     11   17   39      5   11   19   27   36   47   60   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     Q    99_A     Q    99_A      8   17   39      4    7   13   18   23   32   41   54   55   70   75   76   79   88   92  101  106  108  112  113 
LCS_GDT     P   100_A     P   100_A      8   17   39      4    7   11   17   21   26   34   51   54   58   62   69   74   80   85   91   99  108  112  113 
LCS_GDT     D   101_A     D   101_A      8   17   39      4    7   11   13   18   24   31   38   50   56   62   69   74   80   86   92  105  108  112  113 
LCS_GDT     G   102_A     G   102_A      8   17   39      4    7   11   18   23   27   34   45   52   70   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     S   103_A     S   103_A      7   17   39      4    5    6   11   18   27   31   35   52   63   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     Y   104_A     Y   104_A      4   17   39      3    6   11   18   23   32   48   58   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     V   105_A     V   105_A      4   17   39      3    4    9   13   23   27   34   51   64   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     Q   106_A     Q   106_A      9   17   39      4    7   15   33   43   51   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     Y   107_A     Y   107_A      9   17   39      9   14   23   33   43   51   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     S   108_A     S   108_A      9   17   39      9   14   24   33   43   51   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     Q   109_A     Q   109_A      9   17   39      4   14   19   30   43   50   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     L   110_A     L   110_A      9   17   39      4   14   24   33   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     E   111_A     E   111_A      9   11   39      4   14   19   19   40   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     L   112_A     L   112_A      9   11   39      7   14   24   31   43   52   61   66   69   71   75   77   85   89   97  102  106  108  112  113 
LCS_GDT     L   113_A     L   113_A      9   11   39      6   14   20   35   43   52   61   66   69   71   75   77   85   89   93  101  106  108  112  113 
LCS_GDT     G   114_A     G   114_A      9   11   39      6   10   20   35   43   52   61   66   69   71   75   77   85   89   93  101  106  108  112  113 
LCS_GDT     S   115_A     S   115_A      5   11   39      2    5   11   21   36   51   61   66   69   71   75   76   79   88   92   98  105  108  112  113 
LCS_GDT     G   116_A     G   116_A      4   10   39      2    4    4   10   12   22   27   42   56   71   75   76   78   84   91   92   97  107  110  113 
LCS_AVERAGE  LCS_A:  30.96  (  11.67   16.54   64.67 )

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     25     31     38     43     52     61     66     69     71     75     77     85     89     97    102    106    108    112    113 
GDT PERCENT_AT  10.53  21.93  27.19  33.33  37.72  45.61  53.51  57.89  60.53  62.28  65.79  67.54  74.56  78.07  85.09  89.47  92.98  94.74  98.25  99.12
GDT RMS_LOCAL    0.27   0.65   0.83   1.17   1.63   2.01   2.30   2.50   2.64   2.80   3.13   3.48   4.46   4.61   5.28   5.43   5.57   5.65   5.89   5.93
GDT RMS_ALL_AT   7.08   7.00   6.94   6.72   7.67   7.26   7.16   7.17   7.12   7.13   7.05   6.72   6.20   6.16   6.17   6.10   6.04   6.08   6.02   6.02

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  Y    11_A      Y    11_A
#   possible swapping detected:  Y    12_A      Y    12_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  E    79_A      E    79_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     5.934     0    0.499   0.499     6.994   23.095   23.095
LGA    E     4_A      E     4_A     4.561     0    0.065   1.123     5.154   34.524   38.889
LGA    E     5_A      E     5_A     3.955     0    0.045   0.679     4.284   43.452   42.698
LGA    E     6_A      E     6_A     3.511     0    0.058   1.065     3.709   46.667   57.196
LGA    R     7_A      R     7_A     3.040     0    0.028   1.311     8.158   53.571   33.896
LGA    F     8_A      F     8_A     2.426     0    0.050   1.037     5.513   62.857   49.610
LGA    R     9_A      R     9_A     2.538     0    0.055   1.522     8.847   57.143   41.905
LGA    A    10_A      A    10_A     2.580     0    0.046   0.047     2.687   57.143   57.143
LGA    Y    11_A      Y    11_A     2.228     0    0.036   0.806     5.243   64.762   52.817
LGA    Y    12_A      Y    12_A     2.429     0    0.056   1.179     5.698   60.952   55.675
LGA    E    13_A      E    13_A     2.731     0    0.065   1.152     6.085   59.048   48.677
LGA    R    14_A      R    14_A     2.263     0    0.034   1.116     2.926   66.905   66.450
LGA    Y    15_A      Y    15_A     1.791     0    0.052   0.223     2.944   72.976   66.865
LGA    F    16_A      F    16_A     1.080     0    0.076   0.789     4.529   83.690   63.896
LGA    A    17_A      A    17_A     1.039     0    0.041   0.045     1.130   81.429   81.429
LGA    A    18_A      A    18_A     1.151     0    0.039   0.043     1.380   85.952   85.048
LGA    L    19_A      L    19_A     0.957     0    0.048   0.123     1.522   85.952   84.881
LGA    A    20_A      A    20_A     1.099     0    0.072   0.070     1.364   81.429   81.429
LGA    A    21_A      A    21_A     0.939     0    0.155   0.153     1.358   90.476   88.667
LGA    R    22_A      R    22_A     0.921     0    0.056   1.290     5.817   88.214   68.658
LGA    D    23_A      D    23_A     0.884     0    0.114   0.179     1.050   90.476   85.952
LGA    Y    24_A      Y    24_A     1.177     0    0.058   1.560    10.786   85.952   45.079
LGA    E    25_A      E    25_A     1.240     0    0.064   0.992     2.576   81.429   76.878
LGA    T    26_A      T    26_A     1.246     0    0.035   0.115     1.776   79.286   78.980
LGA    L    27_A      L    27_A     1.343     0    0.035   1.050     4.481   77.143   68.631
LGA    L    28_A      L    28_A     1.483     0    0.048   1.237     3.786   75.119   72.440
LGA    E    29_A      E    29_A     2.576     0    0.029   0.910     6.078   57.262   41.376
LGA    I    30_A      I    30_A     3.358     0    0.032   1.347     6.648   50.000   41.369
LGA    L    31_A      L    31_A     2.957     0    0.580   1.414     3.875   57.262   51.964
LGA    R    32_A      R    32_A     5.196     0    0.623   1.108    10.537   21.190    9.870
LGA    E    33_A      E    33_A     9.413     0    0.032   0.610    15.979    2.857    1.270
LGA    F    34_A      F    34_A    11.567     0    0.067   0.303    17.473    0.000    0.000
LGA    G    35_A      G    35_A     8.630     0    0.528   0.528     9.205    2.500    2.500
LGA    V    36_A      V    36_A     8.569     0    0.081   0.099    10.144    2.857    2.449
LGA    A    37_A      A    37_A    10.855     0    0.678   0.609    12.580    0.119    0.095
LGA    K    38_A      K    38_A    10.568     0    0.158   0.784    10.979    0.000    0.370
LGA    L    39_A      L    39_A    10.026     0    0.039   1.329    10.491    0.000    6.012
LGA    V    40_A      V    40_A    11.390     0    0.614   1.377    15.541    0.000    0.000
LGA    L    41_A      L    41_A     9.871     0    0.181   0.767    10.190    3.333    2.381
LGA    N    42_A      N    42_A    10.193     0    0.400   0.761    11.099    0.000    0.000
LGA    G    43_A      G    43_A    10.660     0    0.695   0.695    10.660    1.905    1.905
LGA    R    44_A      R    44_A     4.732     0    0.134   0.793     9.625   25.595   24.502
LGA    E    45_A      E    45_A     4.297     0    0.096   0.600     6.958   48.810   34.921
LGA    F    46_A      F    46_A     2.573     0    0.066   0.132     3.976   55.357   52.078
LGA    A    47_A      A    47_A     2.411     0    0.116   0.112     2.683   62.857   63.238
LGA    S    48_A      S    48_A     1.644     0    0.059   0.105     2.328   75.000   72.937
LGA    P    49_A      P    49_A     2.341     0    0.049   0.286     3.383   62.857   60.476
LGA    E    50_A      E    50_A     2.658     0    0.044   1.406     8.649   62.857   42.116
LGA    E    51_A      E    51_A     1.652     0    0.027   0.370     2.552   70.833   71.164
LGA    A    52_A      A    52_A     2.013     0    0.037   0.051     2.421   66.786   66.381
LGA    V    53_A      V    53_A     3.210     0    0.078   0.109     4.989   55.357   45.918
LGA    Q    54_A      Q    54_A     2.170     0    0.033   0.968     4.929   68.810   62.011
LGA    W    55_A      W    55_A     1.329     0    0.029   1.623     6.411   79.286   58.061
LGA    A    56_A      A    56_A     1.974     0    0.048   0.065     2.329   70.833   69.619
LGA    R    57_A      R    57_A     1.993     0    0.047   0.594     3.189   72.976   64.329
LGA    D    58_A      D    58_A     0.879     0    0.066   1.042     4.913   81.548   66.548
LGA    T    59_A      T    59_A     1.815     0    0.154   1.166     4.930   72.976   65.850
LGA    G    60_A      G    60_A     2.300     0    0.383   0.383     4.489   52.976   52.976
LGA    L    61_A      L    61_A     8.327     0    0.588   0.540    14.715    7.619    3.810
LGA    R    62_A      R    62_A     9.882     0    0.599   1.444    18.006    0.833    0.346
LGA    F    63_A      F    63_A    10.567     0    0.106   1.370    16.376    0.000    0.000
LGA    L    64_A      L    64_A    10.769     0    0.646   0.980    13.189    0.000    0.000
LGA    R    65_A      R    65_A    10.934     0    0.026   1.797    19.057    0.000    0.000
LGA    L    66_A      L    66_A    12.784     0    0.102   1.117    17.516    0.000    0.000
LGA    I    67_A      I    67_A    12.156     0    0.602   0.651    13.730    0.000    0.000
LGA    R    68_A      R    68_A    12.690     0    0.069   1.300    18.052    0.000    0.000
LGA    E    69_A      E    69_A    10.999     0    0.069   0.958    12.310    0.000    6.349
LGA    R    70_A      R    70_A    12.499     0    0.091   1.191    20.678    0.000    0.000
LGA    Y    71_A      Y    71_A    11.898     0    0.163   1.312    16.625    0.000    0.000
LGA    E    72_A      E    72_A    15.511     0    0.559   1.062    16.236    0.000    0.000
LGA    D    73_A      D    73_A    15.640     0    0.445   1.384    20.051    0.000    0.000
LGA    G    74_A      G    74_A    13.870     0    0.321   0.321    14.552    0.000    0.000
LGA    V    75_A      V    75_A    14.112     0    0.150   1.038    17.393    0.000    0.000
LGA    Y    76_A      Y    76_A    14.202     0    0.112   0.202    17.905    0.000    0.000
LGA    T    77_A      T    77_A    14.201     0    0.069   1.076    16.072    0.000    0.000
LGA    V    78_A      V    78_A    14.098     0    0.099   1.139    15.567    0.000    0.000
LGA    E    79_A      E    79_A    14.767     0    0.276   1.272    17.109    0.000    0.000
LGA    D    80_A      D    80_A    13.967     0    0.132   1.138    18.405    0.000    0.000
LGA    I    81_A      I    81_A    10.472     0    0.087   0.095    11.677    0.000    0.893
LGA    V    82_A      V    82_A    10.811     0    0.220   1.141    14.937    0.714    0.408
LGA    S    83_A      S    83_A     6.854     0    0.151   0.254     9.416    6.667    8.968
LGA    R    84_A      R    84_A     7.372     0    0.543   1.196    11.416   10.952    6.190
LGA    D    85_A      D    85_A     6.693     0    0.306   0.599    11.514   19.524   11.012
LGA    D    86_A      D    86_A     4.005     0    0.691   1.338     6.153   45.714   35.476
LGA    G    87_A      G    87_A     3.525     0    0.662   0.662     3.665   62.500   62.500
LGA    R    88_A      R    88_A     3.196     0    0.282   1.123    11.942   59.167   26.234
LGA    Y    89_A      Y    89_A     3.153     0    0.018   1.571     8.466   51.786   36.270
LGA    Y    90_A      Y    90_A     2.703     0    0.070   0.245     4.914   57.143   45.476
LGA    R    91_A      R    91_A     2.315     0    0.114   1.469     3.972   64.762   65.801
LGA    H    92_A      H    92_A     2.152     0    0.099   0.467     2.575   68.810   65.619
LGA    T    93_A      T    93_A     1.918     0    0.103   1.104     3.873   64.881   64.150
LGA    S    94_A      S    94_A     2.030     0    0.032   0.626     3.045   70.833   66.349
LGA    T    95_A      T    95_A     1.805     0    0.070   0.076     2.719   68.929   63.878
LGA    L    96_A      L    96_A     1.971     0    0.134   0.877     5.094   72.976   62.202
LGA    R    97_A      R    97_A     3.521     0    0.196   1.527    14.154   39.167   19.610
LGA    R    98_A      R    98_A     4.172     0    0.064   1.221     6.585   29.762   38.268
LGA    Q    99_A      Q    99_A     7.934     0    0.051   0.648    10.896    8.095    4.444
LGA    P   100_A      P   100_A    10.271     0    0.091   0.298    11.771    0.119    0.068
LGA    D   101_A      D   101_A    11.274     0    0.198   1.045    14.181    0.000    0.000
LGA    G   102_A      G   102_A     7.989     0    0.186   0.186     8.907    9.286    9.286
LGA    S   103_A      S   103_A     7.626     0    0.061   0.134    12.292    6.190    4.127
LGA    Y   104_A      Y   104_A     5.733     0    0.116   0.180     9.910   21.429   17.619
LGA    V   105_A      V   105_A     6.142     0    0.072   1.105    10.177   24.405   14.422
LGA    Q   106_A      Q   106_A     2.772     0    0.590   0.469    10.910   55.357   31.270
LGA    Y   107_A      Y   107_A     3.068     0    0.129   0.178     3.786   51.786   52.540
LGA    S   108_A      S   108_A     2.947     0    0.072   0.107     3.600   51.905   51.270
LGA    Q   109_A      Q   109_A     3.378     0    0.046   0.993     4.272   51.786   46.455
LGA    L   110_A      L   110_A     3.085     0    0.113   1.235     4.111   48.333   49.583
LGA    E   111_A      E   111_A     3.229     0    0.162   0.314     5.056   53.571   45.503
LGA    L   112_A      L   112_A     3.396     0    0.103   1.124     6.170   57.381   43.393
LGA    L   113_A      L   113_A     1.722     0    0.210   0.216     2.428   68.810   69.821
LGA    G   114_A      G   114_A     1.938     0    0.093   0.093     2.649   64.881   64.881
LGA    S   115_A      S   115_A     3.069     0    0.043   0.652     4.991   57.500   48.810
LGA    G   116_A      G   116_A     6.232     0    0.491   0.491     7.542   15.119   15.119

# 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):     6.017          5.964                  6.957           39.678   35.175

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0     66    2.50    50.658    42.498     2.543

LGA_LOCAL      RMSD:   2.495  Number of atoms:   66  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.167  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   6.017  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.346036 * X  +   0.937268 * Y  +  -0.042290 * Z  + -33.444237
  Y_new =  -0.784572 * X  +  -0.313790 * Y  +  -0.534773 * Z  +  26.705273
  Z_new =  -0.514496 * X  +  -0.151871 * Y  +   0.843937 * Z  +  40.520508 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.986182  0.540419 -0.178050   [DEG: -113.7999   30.9637  -10.2015 ]
ZXZ: -0.078915  0.566216 -1.857830   [DEG:   -4.5215   32.4418 -106.4458 ]
 
# END of job
