
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , 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:    89      17_A - 105_A       4.94     7.51
  LCS_AVERAGE:     78.24

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46      17_A - 62_A        1.92    10.26
  LCS_AVERAGE:     35.69

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      17_A - 51_A        0.99    10.41
  LONGEST_CONTINUOUS_SEGMENT:    35      18_A - 52_A        0.99    10.48
  LCS_AVERAGE:     25.67

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A     35   46   89      7   21   36   41   42   45   48   53   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     E    18_A     E    18_A     35   46   89      7   23   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     E    19_A     E    19_A     35   46   89      7   23   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     M    20_A     M    20_A     35   46   89      8   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     N    21_A     N    21_A     35   46   89     10   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     K    22_A     K    22_A     35   46   89      7   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     V    23_A     V    23_A     35   46   89      7   24   36   41   42   45   48   54   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     H    24_A     H    24_A     35   46   89      8   24   36   41   42   45   48   53   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     N    25_A     N    25_A     35   46   89      8   24   36   41   42   45   48   52   55   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     I    26_A     I    26_A     35   46   89      8   24   36   41   42   45   48   52   57   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     K    27_A     K    27_A     35   46   89      8   24   36   41   42   45   48   52   55   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     C    28_A     C    28_A     35   46   89      6   24   36   41   42   45   48   52   55   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     H    29_A     H    29_A     35   46   89      3   16   36   41   42   45   48   52   55   58   63   68   76   80   83   88   90   93   94   95 
LCS_GDT     F    30_A     F    30_A     35   46   89      8   24   36   41   42   45   48   52   55   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     D    31_A     D    31_A     35   46   89      4   17   36   41   42   45   48   52   55   58   63   68   75   80   83   88   90   93   94   95 
LCS_GDT     N    32_A     N    32_A     35   46   89      4   22   36   41   42   45   48   52   55   58   63   66   75   80   83   88   90   93   94   95 
LCS_GDT     C    33_A     C    33_A     35   46   89      5   23   36   41   42   45   48   52   55   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     N    34_A     N    34_A     35   46   89      4    6   34   41   42   45   48   52   55   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     R    35_A     R    35_A     35   46   89      8   24   36   41   42   45   48   52   55   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     K    36_A     K    36_A     35   46   89      4   24   36   41   42   45   48   52   55   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     I    37_A     I    37_A     35   46   89      4   21   36   41   42   45   48   52   57   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     H    38_A     H    38_A     35   46   89      8   24   36   41   42   45   48   52   57   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     W    39_A     W    39_A     35   46   89     10   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     K    40_A     K    40_A     35   46   89     10   23   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     I    41_A     I    41_A     35   46   89      7   20   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     R    42_A     R    42_A     35   46   89     10   24   36   41   42   45   50   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     Y    43_A     Y    43_A     35   46   89     10   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     G    44_A     G    44_A     35   46   89      3   24   36   41   42   45   48   53   58   60   65   71   78   81   83   88   90   93   94   95 
LCS_GDT     K    45_A     K    45_A     35   46   89      9   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     L    46_A     L    46_A     35   46   89      7   21   34   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     R    47_A     R    47_A     35   46   89      8   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     L    48_A     L    48_A     35   46   89      9   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     V    49_A     V    49_A     35   46   89      9   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     D    50_A     D    50_A     35   46   89     10   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     H    51_A     H    51_A     35   46   89     10   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     A    52_A     A    52_A     35   46   89     10   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     L    53_A     L    53_A     34   46   89      9   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     S    54_A     S    54_A     24   46   89      9   24   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     H    55_A     H    55_A     24   46   89     10   23   36   41   42   45   48   54   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     Q    56_A     Q    56_A     24   46   89     10   23   36   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     E    57_A     E    57_A     23   46   89      3   17   32   39   42   45   49   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     E    58_A     E    58_A     14   46   89      3    4   21   33   40   45   51   55   58   61   64   69   78   81   83   88   90   93   94   95 
LCS_GDT     K    59_A     K    59_A      4   46   89      3    4    5    7   29   40   45   54   58   61   64   67   73   81   83   88   90   93   94   95 
LCS_GDT     S    60_A     S    60_A     31   46   89      4   18   29   33   39   42   49   54   57   60   64   67   69   74   80   85   89   93   94   95 
LCS_GDT     I    61_A     I    61_A     31   46   89      4   27   31   35   41   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     D    62_A     D    62_A     31   46   89     16   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     C    63_A     C    63_A     31   37   89     16   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     Q    64_A     Q    64_A     31   37   89     16   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     K    65_A     K    65_A     31   37   89     16   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     C    66_A     C    66_A     31   37   89     16   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     E    67_A     E    67_A     31   37   89     16   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     Y    68_A     Y    68_A     31   37   89     16   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     S    69_A     S    69_A     31   37   89     16   27   31   35   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     C    70_A     C    70_A     31   37   89      4   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     Q    71_A     Q    71_A     31   37   89     16   27   31   39   42   45   50   55   58   61   64   67   74   81   83   88   90   93   94   95 
LCS_GDT     T    72_A     T    72_A     31   37   89     16   27   33   41   42   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     T    73_A     T    73_A     31   37   89     10   27   31   35   41   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     R    74_A     R    74_A     31   37   89     16   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     Q    75_A     Q    75_A     31   37   89     16   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     M    76_A     M    76_A     31   37   89     16   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     R    77_A     R    77_A     31   37   89     16   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     Y    78_A     Y    78_A     31   37   89     16   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     H    79_A     H    79_A     31   37   89     15   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     Y    80_A     Y    80_A     31   37   89     11   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     K    81_A     K    81_A     31   37   89     11   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     K    82_A     K    82_A     31   37   89     15   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     I    83_A     I    83_A     31   37   89     15   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     H    84_A     H    84_A     31   37   89     16   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     A    85_A     A    85_A     31   37   89     15   27   31   35   40   45   51   55   58   61   64   72   78   81   83   88   90   93   94   95 
LCS_GDT     N    86_A     N    86_A     31   37   89     15   27   31   35   40   45   51   55   58   61   64   70   78   81   83   88   90   93   94   95 
LCS_GDT     L    87_A     L    87_A     31   37   89     11   27   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     K    88_A     K    88_A     31   37   89      7   22   31   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     M    89_A     M    89_A     31   37   89      5   18   29   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     E    90_A     E    90_A     31   37   89      3   11   24   34   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     G    91_A     G    91_A     31   37   89      3    8   25   35   40   45   51   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     F    92_A     F    92_A      3   37   89      3    4   12   24   39   44   50   55   58   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     G    93_A     G    93_A      4   37   89      4    4    4    7   11   18   38   48   53   57   60   67   73   81   83   88   90   93   94   95 
LCS_GDT     I    94_A     I    94_A      4   37   89      4    4    5    7   12   18   33   44   52   56   58   63   68   73   81   85   89   93   94   95 
LCS_GDT     L    95_A     L    95_A      4   37   89      4    4    5   32   36   42   47   54   57   61   64   67   71   75   82   85   88   92   94   95 
LCS_GDT     N    96_A     N    96_A      4   37   89      4    4    4   26   39   44   50   54   58   61   64   70   78   81   83   88   90   93   94   95 
LCS_GDT     I    97_A     I    97_A      4    9   89      4    4    5    7   10   14   16   26   29   52   61   67   78   81   83   88   90   93   94   95 
LCS_GDT     P    98_A     P    98_A      5   16   89      4    4    5    8   10   15   25   33   44   54   61   72   78   81   83   88   90   93   94   95 
LCS_GDT     L    99_A     L    99_A      5   20   89      4    4    5    8   11   15   19   33   39   50   57   72   78   81   83   88   90   93   94   95 
LCS_GDT     Q   100_A     Q   100_A     14   21   89      4    7   14   15   17   19   20   33   43   50   58   72   78   81   83   88   90   93   94   95 
LCS_GDT     N   101_A     N   101_A     18   21   89     13   14   16   18   18   19   21   33   43   50   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     T   102_A     T   102_A     18   21   89     13   14   16   18   18   19   23   33   37   40   44   65   70   80   83   88   90   93   94   95 
LCS_GDT     K   103_A     K   103_A     18   21   89     13   14   16   18   18   19   20   24   29   31   38   44   52   65   70   73   76   87   89   95 
LCS_GDT     F   104_A     F   104_A     18   21   89     13   14   16   18   18   19   23   33   37   48   55   64   77   81   83   88   90   93   94   95 
LCS_GDT     S   105_A     S   105_A     18   21   89     13   14   16   18   18   32   43   50   55   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     D   106_A     D   106_A     18   21   73     13   14   16   18   18   19   20   20   38   42   47   53   61   75   79   82   90   93   94   95 
LCS_GDT     V   107_A     V   107_A     18   21   72     13   14   16   18   18   19   20   22   30   34   47   53   62   75   81   88   90   93   94   95 
LCS_GDT     W   108_A     W   108_A     18   21   72     13   14   16   23   34   41   48   52   55   61   65   72   78   81   83   88   90   93   94   95 
LCS_GDT     N   109_A     N   109_A     18   21   27     13   14   16   18   18   22   28   39   50   55   56   60   62   70   75   84   90   93   94   95 
LCS_GDT     K   110_A     K   110_A     18   21   27     13   14   16   18   18   19   20   20   20   32   35   41   48   60   64   67   68   74   80   91 
LCS_GDT     C   111_A     C   111_A     18   21   27     13   14   16   18   18   19   20   28   34   39   54   56   61   67   82   88   90   93   94   95 
LCS_GDT     F   112_A     F   112_A     18   21   27     13   14   16   18   18   32   39   43   47   50   54   55   60   64   75   85   90   93   94   95 
LCS_GDT     G   113_A     G   113_A     18   21   27     13   14   16   18   18   19   20   40   46   48   52   55   57   61   62   64   70   75   82   87 
LCS_GDT     D   114_A     D   114_A     18   21   27      3    8   16   18   18   19   20   20   20   21   24   30   33   34   38   53   55   60   61   64 
LCS_GDT     Q   115_A     Q   115_A     18   21   27      5   14   16   18   18   19   20   20   20   21   22   35   40   45   50   54   57   60   61   64 
LCS_GDT     L   116_A     L   116_A     18   21   27      4    8   16   18   18   19   20   20   23   26   36   49   49   55   56   58   61   64   70   73 
LCS_GDT     K   117_A     K   117_A     18   21   27      4    8   13   18   18   19   20   20   20   21   22   22   27   28   32   39   40   42   43   57 
LCS_GDT     T   118_A     T   118_A     18   21   27      5   14   16   18   18   19   20   20   20   21   22   22   27   28   32   34   36   39   45   46 
LCS_GDT     I   119_A     I   119_A      3   21   27      3    3    6    6   10   14   20   20   20   21   22   22   27   28   32   34   36   39   45   46 
LCS_GDT     G   120_A     G   120_A      3   21   27      0    3    4    4    5    7   10   16   20   21   22   22   23   25   28   31   34   39   42   44 
LCS_AVERAGE  LCS_A:  46.53  (  25.67   35.69   78.24 )

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     27     36     41     42     45     51     55     58     61     65     72     78     81     83     88     90     93     94     95 
GDT PERCENT_AT  15.38  25.96  34.62  39.42  40.38  43.27  49.04  52.88  55.77  58.65  62.50  69.23  75.00  77.88  79.81  84.62  86.54  89.42  90.38  91.35
GDT RMS_LOCAL    0.35   0.56   0.93   1.11   1.16   1.43   2.24   2.42   2.58   2.97   3.56   3.95   4.20   4.34   4.45   4.77   4.93   5.16   5.22   5.30
GDT RMS_ALL_AT  12.13  11.76  10.90  10.64  10.71  10.10   9.43   9.31   9.40   8.68   7.40   7.49   7.58   7.60   7.56   7.44   7.40   7.37   7.37   7.39

# Checking swapping
#   possible swapping detected:  F    30_A      F    30_A
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F   104_A      F   104_A
#   possible swapping detected:  D   106_A      D   106_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A     5.247     4    0.069   0.079     6.267   35.238   17.566
LGA    E    18_A      E    18_A     1.671     4    0.062   0.073     2.968   73.214   41.587
LGA    E    19_A      E    19_A     2.605     4    0.154   0.158     4.226   62.857   32.063
LGA    M    20_A      M    20_A     2.617     0    0.016   0.317     5.002   66.905   50.714
LGA    N    21_A      N    21_A     2.434     0    0.030   0.924     3.793   59.524   54.821
LGA    K    22_A      K    22_A     3.357     0    0.085   1.123     5.892   55.833   42.698
LGA    V    23_A      V    23_A     5.922     0    0.064   0.082     7.274   18.690   15.918
LGA    H    24_A      H    24_A     6.707     0    0.092   0.173     7.692   15.476   15.381
LGA    N    25_A      N    25_A     9.179     0    0.030   0.960    12.799    1.905    0.952
LGA    I    26_A      I    26_A     8.098     0    0.039   0.591     8.802    4.286    9.345
LGA    K    27_A      K    27_A    10.860     0    0.064   0.277    16.921    0.119    0.053
LGA    C    28_A      C    28_A    10.472     0    0.190   0.691    13.781    0.000    0.556
LGA    H    29_A      H    29_A    14.145     0    0.177   1.143    16.395    0.000    0.000
LGA    F    30_A      F    30_A    13.129     0    0.040   1.196    15.060    0.000    0.000
LGA    D    31_A      D    31_A    16.814     0    0.628   0.544    18.449    0.000    0.000
LGA    N    32_A      N    32_A    17.146     0    0.019   0.558    19.409    0.000    0.000
LGA    C    33_A      C    33_A    13.827     0    0.138   0.709    14.884    0.000    0.000
LGA    N    34_A      N    34_A    14.044     0    0.106   0.123    16.288    0.000    0.000
LGA    R    35_A      R    35_A    12.423     0    0.058   1.166    17.957    0.000    0.000
LGA    K    36_A      K    36_A    11.041     0    0.018   0.800    18.862    0.000    0.000
LGA    I    37_A      I    37_A     7.708     0    0.052   0.606     8.596    6.786   12.024
LGA    H    38_A      H    38_A     7.871     0    0.226   1.048    13.918   11.190    4.619
LGA    W    39_A      W    39_A     3.341     0    0.086   1.103     7.343   42.619   39.762
LGA    K    40_A      K    40_A     1.806     0    0.025   0.561     6.869   75.119   53.810
LGA    I    41_A      I    41_A     1.753     0    0.021   0.158     3.506   69.048   64.226
LGA    R    42_A      R    42_A     3.736     0    0.139   1.013    14.369   42.500   20.649
LGA    Y    43_A      Y    43_A     3.284     0    0.675   0.471     5.112   51.786   43.413
LGA    G    44_A      G    44_A     4.755     0    0.143   0.143     4.755   42.500   42.500
LGA    K    45_A      K    45_A     2.835     0    0.084   0.650     5.528   59.167   43.386
LGA    L    46_A      L    46_A     1.962     0    0.094   1.376     4.933   75.119   69.226
LGA    R    47_A      R    47_A     0.824     0    0.019   0.959     4.923   83.810   68.658
LGA    L    48_A      L    48_A     2.266     0    0.053   0.194     4.442   67.024   55.298
LGA    V    49_A      V    49_A     2.217     0    0.041   0.082     3.857   72.976   63.197
LGA    D    50_A      D    50_A     0.561     0    0.015   0.140     3.142   86.190   74.643
LGA    H    51_A      H    51_A     3.030     0    0.044   0.151     7.041   54.048   35.190
LGA    A    52_A      A    52_A     3.878     0    0.012   0.019     4.364   46.667   44.762
LGA    L    53_A      L    53_A     1.475     0    0.034   0.065     2.580   70.952   70.179
LGA    S    54_A      S    54_A     3.614     0    0.033   0.036     5.227   40.952   38.730
LGA    H    55_A      H    55_A     5.726     0    0.030   0.188     7.984   21.905   15.571
LGA    Q    56_A      Q    56_A     4.394     0    0.015   0.886     6.293   38.690   37.672
LGA    E    57_A      E    57_A     4.931     4    0.711   0.652     6.104   37.500   18.571
LGA    E    58_A      E    58_A     2.261     4    0.598   0.599     3.935   57.500   31.111
LGA    K    59_A      K    59_A     4.470     0    0.248   0.524    11.295   32.976   17.302
LGA    S    60_A      S    60_A     5.447     0    0.680   0.582     7.708   30.238   23.016
LGA    I    61_A      I    61_A     3.095     0    0.114   1.347     4.417   51.905   49.583
LGA    D    62_A      D    62_A     2.903     0    0.058   0.228     4.849   59.167   48.988
LGA    C    63_A      C    63_A     1.405     0    0.100   0.172     2.118   72.976   77.302
LGA    Q    64_A      Q    64_A     2.557     0    0.071   0.800     3.004   60.952   68.942
LGA    K    65_A      K    65_A     1.433     0    0.160   0.274     4.219   79.286   68.307
LGA    C    66_A      C    66_A     0.991     0    0.065   0.107     1.796   81.548   83.016
LGA    E    67_A      E    67_A     2.123     4    0.075   0.075     3.302   61.190   34.392
LGA    Y    68_A      Y    68_A     2.297     0    0.009   1.306     9.272   62.857   39.722
LGA    S    69_A      S    69_A     3.084     0    0.021   0.684     4.007   51.786   50.238
LGA    C    70_A      C    70_A     2.929     0    0.058   0.707     3.287   53.571   54.841
LGA    Q    71_A      Q    71_A     3.404     0    0.039   0.317     5.227   50.000   43.016
LGA    T    72_A      T    72_A     2.351     0    0.038   0.071     2.655   66.905   64.898
LGA    T    73_A      T    73_A     1.708     0    0.108   1.132     3.131   77.381   71.020
LGA    R    74_A      R    74_A     1.188     0    0.032   1.444     6.269   83.690   66.277
LGA    Q    75_A      Q    75_A     1.607     0    0.020   0.264     3.994   79.286   65.556
LGA    M    76_A      M    76_A     0.811     0    0.029   0.091     1.397   92.976   88.333
LGA    R    77_A      R    77_A     0.234     0    0.031   1.348     7.831   95.238   61.645
LGA    Y    78_A      Y    78_A     1.181     0    0.018   1.195     8.997   83.690   50.000
LGA    H    79_A      H    79_A     0.870     0    0.015   1.193     6.695   95.238   60.048
LGA    Y    80_A      Y    80_A     0.812     0    0.058   0.732     2.710   88.333   80.397
LGA    K    81_A      K    81_A     1.891     0    0.034   1.070     3.903   72.976   60.370
LGA    K    82_A      K    82_A     1.801     0    0.062   0.892     6.045   72.857   56.402
LGA    I    83_A      I    83_A     1.380     0    0.052   0.682     3.077   81.429   77.500
LGA    H    84_A      H    84_A     1.533     0    0.021   0.145     1.754   75.000   78.905
LGA    A    85_A      A    85_A     2.087     0    0.020   0.025     2.405   66.786   66.381
LGA    N    86_A      N    86_A     2.345     3    0.039   0.043     2.426   64.762   40.476
LGA    L    87_A      L    87_A     2.035     0    0.040   0.891     4.706   68.810   64.643
LGA    K    88_A      K    88_A     1.944     0    0.061   0.624     5.650   72.857   60.265
LGA    M    89_A      M    89_A     1.527     0    0.332   0.928     4.782   72.857   66.667
LGA    E    90_A      E    90_A     1.692     0    0.659   0.572     4.014   63.929   65.503
LGA    G    91_A      G    91_A     1.406     0    0.535   0.535     2.520   75.476   75.476
LGA    F    92_A      F    92_A     3.766     0    0.249   0.200     7.427   34.881   49.307
LGA    G    93_A      G    93_A     6.966     0    0.262   0.262     6.966   23.452   23.452
LGA    I    94_A      I    94_A     7.853     0    0.102   1.532    13.715   10.595    5.833
LGA    L    95_A      L    95_A     5.431     0    0.059   0.111     8.136   30.952   20.357
LGA    N    96_A      N    96_A     3.977     0    0.383   1.039     8.382   35.833   25.357
LGA    I    97_A      I    97_A     6.633     0    0.018   0.066     8.868   17.500   10.952
LGA    P    98_A      P    98_A     7.769     0    0.210   0.401     9.387    5.357    4.830
LGA    L    99_A      L    99_A    10.279     0    0.155   0.145    12.007    0.357    0.179
LGA    Q   100_A      Q   100_A    10.141     0    0.504   0.415    12.017    0.238    0.317
LGA    N   101_A      N   101_A    10.063     0    0.337   0.788    12.853    0.119    0.119
LGA    T   102_A      T   102_A    14.472     0    0.016   0.053    18.015    0.000    0.000
LGA    K   103_A      K   103_A    15.834     0    0.015   0.803    19.283    0.000    0.000
LGA    F   104_A      F   104_A    11.597     0    0.065   1.421    13.098    0.000    0.000
LGA    S   105_A      S   105_A    12.213     0    0.066   0.082    13.946    0.000    0.000
LGA    D   106_A      D   106_A    16.577     0    0.028   1.268    20.541    0.000    0.000
LGA    V   107_A      V   107_A    14.636     0    0.035   0.921    16.228    0.000    0.000
LGA    W   108_A      W   108_A    11.245     0    0.040   1.231    13.087    0.000    4.116
LGA    N   109_A      N   109_A    16.053     0    0.024   0.724    20.170    0.000    0.000
LGA    K   110_A      K   110_A    18.150     0    0.033   1.164    26.064    0.000    0.000
LGA    C   111_A      C   111_A    14.063     0    0.030   0.820    15.135    0.000    0.000
LGA    F   112_A      F   112_A    14.228     0    0.185   0.404    16.048    0.000    0.173
LGA    G   113_A      G   113_A    18.108     0    0.368   0.368    19.617    0.000    0.000
LGA    D   114_A      D   114_A    23.376     3    0.019   0.020    25.667    0.000    0.000
LGA    Q   115_A      Q   115_A    19.236     0    0.139   1.003    20.670    0.000    0.000
LGA    L   116_A      L   116_A    17.374     0    0.352   1.192    19.270    0.000    0.000
LGA    K   117_A      K   117_A    23.129     0    0.183   1.004    28.182    0.000    0.000
LGA    T   118_A      T   118_A    21.684     0    0.102   0.186    21.892    0.000    0.000
LGA    I   119_A      I   119_A    19.613     0    0.176   0.829    21.458    0.000    0.000
LGA    G   120_A      G   120_A    22.878     0    0.163   0.163    22.878    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):     7.219          7.219                  7.491           38.522   32.243

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     55    2.42    50.721    47.278     2.182

LGA_LOCAL      RMSD:   2.420  Number of atoms:   55  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.314  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   7.219  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.462357 * X  +  -0.246925 * Y  +  -0.851618 * Z  +   4.568502
  Y_new =  -0.494228 * X  +  -0.869179 * Y  +  -0.016307 * Z  +  28.811544
  Z_new =  -0.736182 * X  +   0.428433 * Y  +  -0.523909 * Z  +  41.050453 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.818703  0.827412  2.456114   [DEG:  -46.9082   47.4072  140.7249 ]
ZXZ: -1.551650  2.122230 -1.043742   [DEG:  -88.9030  121.5948  -59.8020 ]
 
# END of job
