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

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

# Molecule1: number of CA atoms  115 (  972),  selected  108 , name one
# Molecule2: number of CA atoms  108 (  908),  selected  108 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58       6_C - 63_C        4.99    10.83
  LONGEST_CONTINUOUS_SEGMENT:    58      52_C - 109_C       4.98    14.98
  LCS_AVERAGE:     52.83

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      75_C - 109_C       1.99    13.39
  LCS_AVERAGE:     24.12

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      79_C - 106_C       0.99    11.70
  LCS_AVERAGE:     18.79

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  108
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     L     2_C     L     2_C      3    5   32      3    3    3    5    5    6    6    8   11   14   15   27   28   29   32   46   51   70   76   78 
LCS_GDT     P     3_C     P     3_C      4    5   32      4    4    5    5    5    7    9   16   25   26   27   28   39   43   45   47   67   71   76   78 
LCS_GDT     D     4_C     D     4_C      4   25   32      4    4    5    5    5    6    8    9   13   20   33   36   40   44   54   62   67   74   76   78 
LCS_GDT     E     5_C     E     5_C      4   25   34      4    4    6   17   23   25   27   30   33   36   52   61   66   68   70   71   72   74   78   86 
LCS_GDT     E     6_C     E     6_C     23   25   58      4    4   15   21   23   24   26   30   33   37   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     K     7_C     K     7_C     23   25   58     11   22   22   22   23   25   27   30   33   36   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     L     8_C     L     8_C     23   25   58     12   22   22   22   23   24   26   29   33   36   51   60   66   68   70   75   80   85   88   89 
LCS_GDT     K     9_C     K     9_C     23   25   58     12   22   22   22   23   24   27   30   33   37   54   61   66   68   70   75   79   85   88   89 
LCS_GDT     L    10_C     L    10_C     23   25   58     12   22   22   22   23   25   27   30   33   37   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     L    11_C     L    11_C     23   25   58     16   22   22   22   23   25   27   30   33   37   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     D    12_C     D    12_C     23   25   58     12   22   22   22   23   24   27   30   33   37   54   61   66   68   70   75   79   85   88   89 
LCS_GDT     T    13_C     T    13_C     23   25   58     15   22   22   22   23   25   27   30   33   37   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     L    14_C     L    14_C     23   25   58     16   22   22   22   23   25   27   30   33   37   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     L    15_C     L    15_C     23   25   58     16   22   22   22   23   25   27   30   33   37   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     T    16_C     T    16_C     23   25   58     16   22   22   22   23   25   27   30   33   37   54   61   66   68   70   75   79   85   88   89 
LCS_GDT     M    17_C     M    17_C     23   25   58     16   22   22   22   23   25   27   30   33   37   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     V    18_C     V    18_C     23   25   58     16   22   22   22   23   25   27   30   33   37   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     E    19_C     E    19_C     23   25   58     16   22   22   22   23   25   27   30   33   37   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     W    20_C     W    20_C     23   25   58     16   22   22   22   23   25   27   30   33   37   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     V    21_C     V    21_C     23   25   58     16   22   22   22   23   25   27   30   33   36   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     K    22_C     K    22_C     23   25   58     16   22   22   22   23   25   27   30   33   37   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     E    23_C     E    23_C     23   25   58     16   22   22   22   23   25   27   30   33   37   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     L    24_C     L    24_C     23   25   58     16   22   22   22   23   25   27   30   33   36   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     L    25_C     L    25_C     23   25   58     16   22   22   22   23   25   27   30   33   36   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     E    26_C     E    26_C     23   25   58     16   22   22   22   23   25   27   30   33   36   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     E    27_C     E    27_C     23   25   58     16   22   22   22   23   25   27   30   33   36   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     S    28_C     S    28_C     23   25   58     16   22   22   22   23   25   27   30   33   36   47   61   66   68   70   75   80   85   88   89 
LCS_GDT     V    29_C     V    29_C      4   25   58      4    4    4    7    9   11   17   23   30   37   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     E    30_C     E    30_C      4    4   58      4    4    4   10   13   16   17   22   31   37   51   60   66   68   70   75   80   85   88   89 
LCS_GDT     K    31_C     K    31_C      4   24   58      4    8    9   12   14   16   20   24   31   37   51   60   66   68   70   74   80   85   88   88 
LCS_GDT     N    32_C     N    32_C      4   25   58      4    4    5    6    6   19   24   26   33   39   42   54   55   68   70   75   80   85   88   89 
LCS_GDT     S    33_C     S    33_C     22   25   58      4   21   22   22   30   33   38   45   50   51   53   54   66   68   70   75   80   85   88   89 
LCS_GDT     R    34_C     R    34_C     22   25   58     13   21   22   22   23   33   38   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     M    35_C     M    35_C     22   25   58     13   21   22   22   23   23   38   45   50   51   53   61   66   68   70   75   80   85   88   89 
LCS_GDT     R    36_C     R    36_C     22   25   58     15   21   22   23   30   33   38   45   50   51   53   61   66   68   70   75   80   85   88   89 
LCS_GDT     H    37_C     H    37_C     22   25   58     15   21   22   22   30   33   38   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     I    38_C     I    38_C     22   25   58     15   21   22   22   23   23   37   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     R    39_C     R    39_C     22   25   58     15   21   22   22   23   33   38   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     A    40_C     A    40_C     22   25   58     15   21   22   23   30   33   38   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     V    41_C     V    41_C     22   25   58     15   21   22   22   23   23   38   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     M    42_C     M    42_C     22   25   58     15   21   22   22   23   28   38   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     W    43_C     W    43_C     22   25   58     15   21   22   22   30   33   38   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     A    44_C     A    44_C     22   25   58     15   21   22   22   28   33   38   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     E    45_C     E    45_C     22   25   58     15   21   22   22   23   23   37   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     Y    46_C     Y    46_C     22   25   58     15   21   22   22   25   33   38   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     M    47_C     M    47_C     22   25   58     15   21   22   23   30   33   38   45   50   51   53   61   66   68   70   75   80   85   88   89 
LCS_GDT     L    48_C     L    48_C     22   25   58     15   21   22   22   23   23   32   44   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     E    49_C     E    49_C     22   25   58     15   21   22   22   23   27   37   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     I    50_C     I    50_C     22   25   58     15   21   22   23   30   33   38   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     A    51_C     A    51_C     22   25   58     11   21   22   22   27   30   37   44   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     R    52_C     R    52_C     22   25   58     11   21   22   22   23   23   26   29   33   50   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     S    53_C     S    53_C     22   25   58     11   21   22   22   23   30   38   45   50   51   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     L    54_C     L    54_C     22   25   58      3   11   22   22   28   31   33   37   41   50   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     E    55_C     E    55_C     20   25   58      3    6   10   22   23   23   26   29   33   38   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     D    56_C     D    56_C      7   25   58      3    7   23   27   31   34   38   40   43   48   54   61   66   68   70   71   78   84   88   89 
LCS_GDT     E    57_C     E    57_C     14   25   58      4   13   14   14   20   27   34   40   43   48   54   61   66   68   70   71   72   74   77   82 
LCS_GDT     K    58_C     K    58_C     14   16   58      4   11   14   14   15   16   36   40   43   48   54   61   66   68   70   71   72   74   77   81 
LCS_GDT     I    59_C     I    59_C     14   16   58      4   13   24   29   33   35   38   40   43   48   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     L    60_C     L    60_C     14   16   58     11   13   14   14   18   27   33   40   43   48   54   61   66   68   70   71   72   75   82   89 
LCS_GDT     E    61_C     E    61_C     14   16   58     11   13   14   14   15   27   34   40   43   48   54   61   66   68   70   71   72   74   76   79 
LCS_GDT     I    62_C     I    62_C     14   16   58     11   13   14   24   29   35   38   40   43   48   53   61   66   68   70   71   74   82   88   89 
LCS_GDT     A    63_C     A    63_C     14   16   58     11   13   14   14   22   31   35   40   43   48   54   61   66   68   70   75   79   85   88   89 
LCS_GDT     E    64_C     E    64_C     14   16   58     11   13   14   14   15   25   32   40   43   48   54   61   66   68   70   71   72   74   75   79 
LCS_GDT     K    65_C     K    65_C     14   16   58     11   13   14   14   21   31   36   40   43   48   50   51   66   68   70   71   72   74   76   79 
LCS_GDT     L    66_C     L    66_C     14   16   58     11   13   20   28   33   35   38   40   43   48   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     E    67_C     E    67_C     14   16   58     11   13   14   14   15   22   32   40   43   48   54   61   66   68   70   71   72   74   76   79 
LCS_GDT     K    68_C     K    68_C     14   16   58     11   13   14   14   15   19   29   40   43   48   50   51   58   67   70   70   72   74   75   76 
LCS_GDT     A    69_C     A    69_C     14   16   58     11   13   14   18   29   34   38   40   43   48   50   61   66   68   70   71   72   74   76   87 
LCS_GDT     L    70_C     L    70_C     14   16   58     11   13   14   14   18   34   38   40   43   48   54   61   66   68   70   71   73   81   87   89 
LCS_GDT     P    71_C     P    71_C     13   16   58      3    3    4    9   15   20   32   40   43   48   50   59   66   68   70   70   72   74   75   76 
LCS_GDT     E    72_C     E    72_C      5   16   58      4    4    5    7   13   24   35   40   43   48   50   51   52   52   54   55   60   72   75   75 
LCS_GDT     K    73_C     K    73_C      5    5   58      4    4    5    5    5    7    7   10   19   22   39   45   46   49   68   70   72   74   75   76 
LCS_GDT     S    74_C     S    74_C      5    5   58      4    4    5    5    5    6    7   14   19   22   27   42   44   47   54   55   66   74   75   75 
LCS_GDT     K    75_C     K    75_C      5   35   58      4    4    5   19   29   34   38   40   43   48   50   51   52   52   54   70   72   74   75   76 
LCS_GDT     M    76_C     M    76_C      5   35   58      2   18   28   31   33   35   38   39   42   48   50   61   66   68   70   70   73   81   87   89 
LCS_GDT     F    77_C     F    77_C      4   35   58      3    4    9   17   23   35   38   40   43   48   54   61   66   68   70   72   76   82   88   89 
LCS_GDT     T    78_C     T    78_C     27   35   58     10   20   28   31   33   35   38   40   43   49   54   61   66   68   70   75   80   85   88   89 
LCS_GDT     K    79_C     K    79_C     28   35   58     16   22   28   31   33   35   38   45   50   51   53   58   63   66   70   75   80   85   88   89 
LCS_GDT     E    80_C     E    80_C     28   35   58     10   20   28   31   33   35   38   43   50   51   53   54   55   64   66   75   80   85   88   89 
LCS_GDT     E    81_C     E    81_C     28   35   58     16   20   28   31   33   35   38   40   45   51   53   58   63   66   70   75   80   85   88   89 
LCS_GDT     Y    82_C     Y    82_C     28   35   58     16   22   28   31   33   35   38   45   50   51   53   59   64   67   70   75   80   85   88   89 
LCS_GDT     E    83_C     E    83_C     28   35   58     16   22   28   31   33   35   38   45   50   51   53   54   55   64   66   75   80   85   88   89 
LCS_GDT     K    84_C     K    84_C     28   35   58     16   22   28   31   33   35   38   44   50   51   53   54   55   64   66   75   80   85   88   89 
LCS_GDT     L    85_C     L    85_C     28   35   58     16   22   28   31   33   35   38   45   50   51   53   58   63   66   70   75   80   85   88   89 
LCS_GDT     M    86_C     M    86_C     28   35   58     16   22   28   31   33   35   38   45   50   51   53   54   55   64   66   75   80   85   88   89 
LCS_GDT     E    87_C     E    87_C     28   35   58     16   22   28   31   33   35   38   45   50   51   53   54   55   56   66   75   80   85   88   89 
LCS_GDT     V    88_C     V    88_C     28   35   58     16   22   28   31   33   35   38   45   50   51   53   54   55   64   66   75   80   85   88   89 
LCS_GDT     L    89_C     L    89_C     28   35   58     16   22   28   31   33   35   38   45   50   51   53   54   55   64   66   75   80   85   88   89 
LCS_GDT     E    90_C     E    90_C     28   35   58     16   22   28   31   33   35   38   45   50   51   53   54   55   56   65   74   80   85   88   89 
LCS_GDT     E    91_C     E    91_C     28   35   58     16   22   28   31   33   35   38   45   50   51   53   54   55   56   66   75   80   85   88   89 
LCS_GDT     L    92_C     L    92_C     28   35   58     16   22   28   31   33   35   38   45   50   51   53   54   55   64   66   75   80   85   88   89 
LCS_GDT     E    93_C     E    93_C     28   35   58     16   22   28   31   33   35   38   45   50   51   53   54   55   56   65   75   80   85   88   89 
LCS_GDT     E    94_C     E    94_C     28   35   58     15   22   28   31   33   35   38   45   50   51   53   54   55   56   62   71   80   85   88   88 
LCS_GDT     V    95_C     V    95_C     28   35   58     16   22   28   31   33   35   38   45   50   51   53   54   55   56   66   75   80   85   88   89 
LCS_GDT     L    96_C     L    96_C     28   35   58     16   20   28   31   33   35   38   45   50   51   53   54   55   56   66   75   80   85   88   89 
LCS_GDT     E    97_C     E    97_C     28   35   58     14   22   28   31   33   35   38   45   50   51   53   54   55   56   62   68   80   85   88   89 
LCS_GDT     E    98_C     E    98_C     28   35   58     10   22   28   31   33   35   38   45   50   51   53   54   55   56   62   71   80   85   88   89 
LCS_GDT     K    99_C     K    99_C     28   35   58     10   22   28   31   33   35   38   45   50   51   53   54   55   59   66   75   80   85   88   89 
LCS_GDT     K   100_C     K   100_C     28   35   58     10   22   28   31   33   35   38   45   50   51   53   54   55   56   64   75   80   85   88   89 
LCS_GDT     E   101_C     E   101_C     28   35   58     10   22   28   31   33   35   38   45   50   51   53   54   55   56   62   70   80   85   88   89 
LCS_GDT     E   102_C     E   102_C     28   35   58     10   22   28   31   33   35   38   45   50   51   53   54   55   56   65   75   80   85   88   89 
LCS_GDT     V   103_C     V   103_C     28   35   58     10   22   28   31   33   35   38   45   50   51   53   54   55   56   66   75   80   85   88   89 
LCS_GDT     E   104_C     E   104_C     28   35   58     10   19   27   31   33   35   38   45   50   51   53   54   55   56   63   71   80   85   88   89 
LCS_GDT     E   105_C     E   105_C     28   35   58      8   19   27   31   33   35   38   45   50   51   53   54   55   56   62   71   80   85   88   89 
LCS_GDT     R   106_C     R   106_C     28   35   58      9   19   28   31   33   35   38   45   50   51   53   54   55   56   66   75   80   85   88   89 
LCS_GDT     I   107_C     I   107_C     27   35   58     10   19   27   31   33   35   38   45   50   51   53   54   55   56   63   75   80   85   88   89 
LCS_GDT     E   108_C     E   108_C     24   35   58      4   12   21   25   30   33   38   45   50   51   53   54   55   56   63   71   80   85   88   89 
LCS_GDT     G   109_C     G   109_C     21   35   58      3    3    4   23   30   33   38   45   50   51   53   54   55   56   62   71   80   85   88   89 
LCS_AVERAGE  LCS_A:  31.91  (  18.79   24.12   52.83 )

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     16     22     28     31     33     35     38     45     50     51     54     61     66     68     70     75     80     85     88     89 
GDT PERCENT_AT  14.81  20.37  25.93  28.70  30.56  32.41  35.19  41.67  46.30  47.22  50.00  56.48  61.11  62.96  64.81  69.44  74.07  78.70  81.48  82.41
GDT RMS_LOCAL    0.29   0.58   0.94   1.16   1.38   1.65   1.99   2.62   2.87   2.95   4.70   4.88   5.02   5.12   5.19   6.23   6.17   6.44   6.62   6.86
GDT RMS_ALL_AT  11.21  10.99  12.73  12.35  12.94  13.54  14.27  10.45  10.39  10.35  11.22  11.19  11.30  11.38  10.99   8.99   9.33   9.21   9.10   8.91

# Checking swapping
#   possible swapping detected:  D     4_C      D     4_C
#   possible swapping detected:  E     5_C      E     5_C
#   possible swapping detected:  E     6_C      E     6_C
#   possible swapping detected:  E    19_C      E    19_C
#   possible swapping detected:  E    26_C      E    26_C
#   possible swapping detected:  E    27_C      E    27_C
#   possible swapping detected:  Y    46_C      Y    46_C
#   possible swapping detected:  D    56_C      D    56_C
#   possible swapping detected:  E    61_C      E    61_C
#   possible swapping detected:  E    64_C      E    64_C
#   possible swapping detected:  E    72_C      E    72_C
#   possible swapping detected:  F    77_C      F    77_C
#   possible swapping detected:  E    80_C      E    80_C
#   possible swapping detected:  E    81_C      E    81_C
#   possible swapping detected:  E    83_C      E    83_C
#   possible swapping detected:  E    90_C      E    90_C
#   possible swapping detected:  E    91_C      E    91_C
#   possible swapping detected:  E    93_C      E    93_C
#   possible swapping detected:  E    94_C      E    94_C
#   possible swapping detected:  E    97_C      E    97_C
#   possible swapping detected:  E   101_C      E   101_C
#   possible swapping detected:  E   104_C      E   104_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_C      L     2_C    19.299     0    0.596   1.397    20.636    0.000    0.000
LGA    P     3_C      P     3_C    18.598     0    0.634   0.689    19.823    0.000    0.000
LGA    D     4_C      D     4_C    19.888     0    0.095   1.015    25.703    0.000    0.000
LGA    E     5_C      E     5_C    17.568     0    0.035   1.363    23.259    0.000    0.000
LGA    E     6_C      E     6_C    11.185     0    0.439   1.070    13.800    0.000    2.328
LGA    K     7_C      K     7_C    12.405     0    0.063   1.053    16.471    0.000    0.000
LGA    L     8_C      L     8_C    13.808     0    0.040   1.335    17.801    0.000    0.000
LGA    K     9_C      K     9_C    13.964     0    0.025   1.202    14.837    0.000    0.000
LGA    L    10_C      L    10_C    12.429     0    0.077   1.092    12.953    0.000    0.060
LGA    L    11_C      L    11_C    12.675     0    0.079   1.003    16.756    0.000    0.000
LGA    D    12_C      D    12_C    14.270     0    0.025   0.939    19.227    0.000    0.000
LGA    T    13_C      T    13_C    13.280     0    0.051   0.960    15.065    0.000    0.000
LGA    L    14_C      L    14_C    11.797     0    0.029   1.398    13.807    0.000    0.179
LGA    L    15_C      L    15_C    13.475     0    0.043   0.917    14.574    0.000    0.000
LGA    T    16_C      T    16_C    14.100     0    0.036   1.004    15.598    0.000    0.000
LGA    M    17_C      M    17_C    11.981     0    0.065   1.441    14.878    0.000    0.000
LGA    V    18_C      V    18_C    12.078     0    0.051   0.970    13.454    0.000    0.000
LGA    E    19_C      E    19_C    13.668     0    0.042   1.123    14.634    0.000    0.000
LGA    W    20_C      W    20_C    12.829     0    0.051   1.261    14.129    0.000    0.000
LGA    V    21_C      V    21_C    11.195     0    0.061   1.306    11.603    0.000    0.068
LGA    K    22_C      K    22_C    12.456     0    0.035   0.133    16.120    0.000    0.000
LGA    E    23_C      E    23_C    13.051     0    0.036   0.831    16.034    0.000    0.000
LGA    L    24_C      L    24_C    11.458     0    0.053   0.290    11.950    0.000    0.000
LGA    L    25_C      L    25_C    11.276     0    0.029   1.014    11.667    0.000    0.000
LGA    E    26_C      E    26_C    12.619     0    0.041   0.712    17.625    0.000    0.000
LGA    E    27_C      E    27_C    11.909     0    0.067   0.885    14.523    0.000    0.000
LGA    S    28_C      S    28_C    10.346     0    0.298   0.671    13.650    0.476    0.317
LGA    V    29_C      V    29_C    10.797     0    0.598   0.684    14.987    1.548    0.884
LGA    E    30_C      E    30_C     9.173     0    0.046   0.918    16.605    1.905    0.847
LGA    K    31_C      K    31_C     9.642     0    0.206   0.701    17.633    2.857    1.270
LGA    N    32_C      N    32_C     7.204     0    0.389   1.371    11.353   15.833    8.333
LGA    S    33_C      S    33_C     1.757     0    0.588   0.533     4.727   68.929   61.984
LGA    R    34_C      R    34_C     2.840     0    0.075   1.164     8.212   57.262   34.069
LGA    M    35_C      M    35_C     3.510     0    0.060   0.997     4.749   50.119   47.976
LGA    R    36_C      R    36_C     2.103     0    0.026   0.797     8.680   73.095   39.654
LGA    H    37_C      H    37_C     2.237     0    0.050   0.944     5.546   67.024   46.571
LGA    I    38_C      I    38_C     3.912     0    0.033   1.272     8.801   48.452   34.643
LGA    R    39_C      R    39_C     3.056     0    0.039   1.084    11.978   59.167   29.177
LGA    A    40_C      A    40_C     1.335     0    0.037   0.042     2.148   77.143   74.667
LGA    V    41_C      V    41_C     3.647     0    0.030   1.243     6.647   46.786   40.272
LGA    M    42_C      M    42_C     3.800     0    0.036   1.026     9.147   50.119   34.405
LGA    W    43_C      W    43_C     1.647     0    0.029   0.356     8.134   75.119   43.469
LGA    A    44_C      A    44_C     2.889     0    0.043   0.043     3.924   55.833   53.333
LGA    E    45_C      E    45_C     4.418     0    0.030   0.267     7.545   40.238   26.455
LGA    Y    46_C      Y    46_C     2.571     0    0.039   1.221    11.622   65.000   33.968
LGA    M    47_C      M    47_C     1.940     0    0.043   1.034     8.672   67.143   46.488
LGA    L    48_C      L    48_C     4.487     0    0.035   0.972     7.484   38.929   28.274
LGA    E    49_C      E    49_C     4.060     0    0.037   0.502     8.938   46.905   29.630
LGA    I    50_C      I    50_C     1.177     0    0.034   1.208     3.822   69.048   71.667
LGA    A    51_C      A    51_C     4.754     0    0.051   0.051     6.201   31.190   29.238
LGA    R    52_C      R    52_C     6.197     0    0.122   0.899    10.289   19.524    9.870
LGA    S    53_C      S    53_C     3.537     0    0.167   0.710     4.313   38.690   51.508
LGA    L    54_C      L    54_C     6.644     0    0.063   0.206     9.133   12.381    9.405
LGA    E    55_C      E    55_C    10.113     0    0.115   0.850    13.309    1.190    0.529
LGA    D    56_C      D    56_C    12.885     0    0.086   0.655    15.926    0.000    0.000
LGA    E    57_C      E    57_C    16.635     0    0.230   0.482    19.615    0.000    0.000
LGA    K    58_C      K    58_C    16.830     0    0.112   0.833    24.061    0.000    0.000
LGA    I    59_C      I    59_C    10.162     0    0.062   1.145    12.333    0.000    6.369
LGA    L    60_C      L    60_C    14.738     0    0.073   1.477    19.523    0.000    0.000
LGA    E    61_C      E    61_C    18.581     0    0.038   1.067    24.435    0.000    0.000
LGA    I    62_C      I    62_C    13.170     0    0.050   0.633    14.713    0.000    0.060
LGA    A    63_C      A    63_C    11.599     0    0.042   0.049    13.978    0.000    0.000
LGA    E    64_C      E    64_C    18.532     0    0.038   0.581    27.259    0.000    0.000
LGA    K    65_C      K    65_C    17.147     0    0.031   1.002    22.628    0.000    0.000
LGA    L    66_C      L    66_C    11.076     0    0.046   0.897    12.886    0.000    8.452
LGA    E    67_C      E    67_C    16.504     0    0.047   1.050    24.477    0.000    0.000
LGA    K    68_C      K    68_C    20.463     0    0.100   1.321    27.227    0.000    0.000
LGA    A    69_C      A    69_C    15.274     0    0.227   0.230    16.628    0.000    0.000
LGA    L    70_C      L    70_C    13.819     0    0.667   0.747    17.360    0.000    0.000
LGA    P    71_C      P    71_C    18.384     0    0.629   0.841    20.240    0.000    0.000
LGA    E    72_C      E    72_C    20.008     0    0.591   1.151    25.528    0.000    0.000
LGA    K    73_C      K    73_C    16.621     0    0.133   1.080    18.982    0.000    0.000
LGA    S    74_C      S    74_C    19.668     0    0.162   0.149    22.807    0.000    0.000
LGA    K    75_C      K    75_C    19.444     0    0.602   0.907    24.395    0.000    0.000
LGA    M    76_C      M    76_C    13.485     0    0.593   1.018    15.183    0.000    0.060
LGA    F    77_C      F    77_C    11.985     0    0.462   0.924    18.032    1.310    0.476
LGA    T    78_C      T    78_C     7.596     0    0.216   1.141     9.925   11.786    7.891
LGA    K    79_C      K    79_C     3.149     0    0.058   0.946     4.752   49.048   55.238
LGA    E    80_C      E    80_C     5.090     0    0.090   0.700    10.527   30.238   15.767
LGA    E    81_C      E    81_C     6.321     0    0.059   1.041     7.967   24.048   14.974
LGA    Y    82_C      Y    82_C     3.961     0    0.041   0.234     4.945   49.167   42.302
LGA    E    83_C      E    83_C     1.271     0    0.042   1.085     3.254   70.952   65.079
LGA    K    84_C      K    84_C     4.591     0    0.048   1.274    13.841   37.262   20.000
LGA    L    85_C      L    85_C     3.845     0    0.063   1.440     8.727   52.500   33.095
LGA    M    86_C      M    86_C     0.761     0    0.050   0.879     7.176   86.071   61.250
LGA    E    87_C      E    87_C     2.805     0    0.053   0.868     7.064   59.286   40.688
LGA    V    88_C      V    88_C     3.845     0    0.053   0.073     5.980   51.905   40.272
LGA    L    89_C      L    89_C     1.611     0    0.030   1.412     6.953   79.643   56.786
LGA    E    90_C      E    90_C     2.039     0    0.048   0.960     7.567   69.286   43.228
LGA    E    91_C      E    91_C     3.431     0    0.038   0.871     7.864   53.571   32.857
LGA    L    92_C      L    92_C     2.140     0    0.040   1.414     5.905   73.095   62.798
LGA    E    93_C      E    93_C     1.212     0    0.030   0.992     2.754   79.405   72.222
LGA    E    94_C      E    94_C     3.242     0    0.039   0.683     6.885   53.690   34.339
LGA    V    95_C      V    95_C     3.143     0    0.039   1.184     6.016   59.167   47.755
LGA    L    96_C      L    96_C     0.963     0    0.025   1.465     6.570   88.214   64.167
LGA    E    97_C      E    97_C     2.452     0    0.068   1.149     5.832   66.786   45.079
LGA    E    98_C      E    98_C     3.161     0    0.030   0.148     6.538   55.357   38.466
LGA    K    99_C      K    99_C     2.422     0    0.026   1.366     9.519   68.810   42.804
LGA    K   100_C      K   100_C     0.959     0    0.028   0.979     3.768   90.476   74.709
LGA    E   101_C      E   101_C     1.997     0    0.034   0.784     6.901   75.000   46.931
LGA    E   102_C      E   102_C     2.743     0    0.074   0.247     5.762   62.857   46.349
LGA    V   103_C      V   103_C     2.094     0    0.046   0.131     3.357   72.976   65.170
LGA    E   104_C      E   104_C     1.121     0    0.051   0.653     4.294   85.952   64.444
LGA    E   105_C      E   105_C     1.187     0    0.028   0.481     3.142   81.429   72.328
LGA    R   106_C      R   106_C     1.522     0    0.050   1.411     5.023   77.143   65.108
LGA    I   107_C      I   107_C     1.632     0    0.121   1.028     3.954   75.000   63.690
LGA    E   108_C      E   108_C     1.921     0    0.448   0.791     3.968   75.000   66.138
LGA    G   109_C      G   109_C     2.864     0    0.086   0.086     3.116   55.357   55.357

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      108     432    432  100.00     908    908  100.00               108
SUMMARY(RMSD_GDC):     8.628          8.498                  9.566           29.664   22.817

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  115  108    4.0     45    2.62    40.046    36.240     1.656

LGA_LOCAL      RMSD:   2.617  Number of atoms:   45  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.446  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   8.628  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.372397 * X  +   0.495665 * Y  +   0.784625 * Z  + -14.874888
  Y_new =  -0.927624 * X  +  -0.225092 * Y  +  -0.298072 * Z  +   1.691991
  Z_new =   0.028869 * X  +  -0.838838 * Y  +   0.543615 * Z  + -36.451599 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.952555 -0.028873 -0.995788   [DEG: -111.8731   -1.6543  -57.0545 ]
ZXZ:  1.207744  0.996058  3.107191   [DEG:   69.1987   57.0699  178.0289 ]
 
# END of job
