
#######################################################
#                                                     #
#                        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  138 ( 1163),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  106 , 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:    99      12_A - 110_A       4.90     8.51
  LCS_AVERAGE:     89.17

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53      16_A - 68_A        1.97     9.83
  LCS_AVERAGE:     37.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      26_A - 56_A        0.98    10.56
  LCS_AVERAGE:     17.05

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     Q    12_A     Q    12_A      3    4   99      3    3    3    4    5    6    8    8   10   11   14   14   16   18   19   25   29   31   37   37 
LCS_GDT     D    13_A     D    13_A      4    5   99      3    4    4    5    6    8   10   17   21   36   42   56   72   84   89   89   91   92   93   94 
LCS_GDT     P    14_A     P    14_A      4   43   99      3    4    5   10   19   40   59   77   80   86   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     G    15_A     G    15_A      4   44   99      3    4    4    6    7   14   36   57   74   86   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     I    16_A     I    16_A      4   53   99      3   21   42   59   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     N    17_A     N    17_A      9   53   99     12   36   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     R    18_A     R    18_A      9   53   99      7   29   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     K    19_A     K    19_A      9   53   99     19   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     A    20_A     A    20_A      9   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     I    21_A     I    21_A      9   53   99     19   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     N    22_A     N    22_A      9   53   99      7   35   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     F    23_A     F    23_A     10   53   99      7   27   48   60   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     D    24_A     D    24_A     10   53   99      5   36   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     L    25_A     L    25_A     11   53   99      5   36   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     S    26_A     S    26_A     31   53   99      6   30   50   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     T    27_A     T    27_A     31   53   99      6   28   47   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     K    28_A     K    28_A     31   53   99      6   26   47   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     S    29_A     S    29_A     31   53   99      6   30   50   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     L    30_A     L    30_A     31   53   99      6   30   48   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     E    31_A     E    31_A     31   53   99      6   17   46   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     K    32_A     K    32_A     31   53   99      5   20   46   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     Y    33_A     Y    33_A     31   53   99      4   29   47   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     F    34_A     F    34_A     31   53   99      4    9   33   60   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     K    35_A     K    35_A     31   53   99      4    6   33   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     D    36_A     D    36_A     31   53   99      4   28   50   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     T    37_A     T    37_A     31   53   99      4   28   50   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     R    38_A     R    38_A     31   53   99      8   37   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     E    39_A     E    39_A     31   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     P    40_A     P    40_A     31   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     Y    41_A     Y    41_A     31   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     S    42_A     S    42_A     31   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     L    43_A     L    43_A     31   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     I    44_A     I    44_A     31   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     K    45_A     K    45_A     31   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     K    46_A     K    46_A     31   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     F    47_A     F    47_A     31   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     M    48_A     M    48_A     31   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     L    49_A     L    49_A     31   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     E    50_A     E    50_A     31   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     N    51_A     N    51_A     31   53   99     16   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     G    52_A     G    52_A     31   53   99      7   34   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     F    53_A     F    53_A     31   53   99     12   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     E    54_A     E    54_A     31   53   99      8   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     H    55_A     H    55_A     31   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     R    56_A     R    56_A     31   53   99     11   35   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     Q    57_A     Q    57_A     21   53   99      3    5   33   53   65   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     Y    58_A     Y    58_A      3   53   99      3    3   12   17   32   47   61   70   81   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     S    59_A     S    59_A      3   53   99      3    5   12   23   39   54   68   80   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     G    60_A     G    60_A      6   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     Y    61_A     Y    61_A      6   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     T    62_A     T    62_A      6   53   99     16   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     S    63_A     S    63_A      6   53   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     K    64_A     K    64_A      6   53   99      3    5   14   41   64   76   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     E    65_A     E    65_A      6   53   99      3   29   50   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     P    66_A     P    66_A      4   53   99      3   28   50   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     I    67_A     I    67_A      4   53   99      3    4    5    9   61   76   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     N    68_A     N    68_A     19   53   99      6   16   17   24   39   55   75   82   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     E    69_A     E    69_A     19   34   99     14   16   17   25   36   58   75   82   84   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     R    70_A     R    70_A     19   34   99     14   16   19   44   64   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     R    71_A     R    71_A     19   34   99     14   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     V    72_A     V    72_A     19   34   99     14   16   29   50   69   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     I    73_A     I    73_A     19   34   99     14   16   20   33   64   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     R    74_A     R    74_A     19   34   99     14   19   48   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     I    75_A     I    75_A     19   34   99     14   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     I    76_A     I    76_A     19   34   99     14   16   29   59   71   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     N    77_A     N    77_A     19   34   99     14   16   20   47   71   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     K    78_A     K    78_A     19   34   99     14   29   48   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     L    79_A     L    79_A     19   34   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     T    80_A     T    80_A     19   34   99     14   16   43   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     K    81_A     K    81_A     19   34   99     14   16   25   57   72   77   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     K    82_A     K    82_A     19   34   99     14   16   39   60   72   77   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     F    83_A     F    83_A     19   34   99     11   35   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     T    84_A     T    84_A     19   34   99     15   35   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     W    85_A     W    85_A     19   34   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     L    86_A     L    86_A     19   34   99      8   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     G    87_A     G    87_A     18   34   99      5   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     E    88_A     E    88_A     18   34   99     10   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     C    89_A     C    89_A     18   34   99     17   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     V    90_A     V    90_A     18   34   99      7   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     K    91_A     K    91_A     18   34   99     11   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     E    92_A     E    92_A     18   34   99      9   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     F    93_A     F    93_A     18   34   99      8   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     D    94_A     D    94_A     18   34   99      8   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     I    95_A     I    95_A     18   34   99     20   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     T    96_A     T    96_A     18   34   99     12   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     E    97_A     E    97_A     18   34   99     11   39   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     I    98_A     I    98_A     18   34   99      8   29   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     G    99_A     G    99_A     18   34   99     10   32   51   62   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     E   100_A     E   100_A     18   34   99      3   21   39   57   67   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     Q   101_A     Q   101_A     18   34   99      3   16   48   58   72   78   82   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     Y   102_A     Y   102_A      5   34   99      3    5   12   32   52   63   76   83   85   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     S   103_A     S   103_A     11   34   99      3    5    9   18   28   44   64   73   82   88   88   90   90   91   91   92   93   93   93   94 
LCS_GDT     L   104_A     L   104_A     11   13   99      7   10   10   11   11   12   16   22   26   38   50   61   77   82   89   92   93   93   93   94 
LCS_GDT     K   105_A     K   105_A     11   13   99      3   10   10   11   14   20   29   38   52   62   73   81   86   91   91   92   93   93   93   94 
LCS_GDT     E   106_A     E   106_A     11   13   99      5   10   10   11   11   12   13   18   25   38   52   64   75   83   88   92   93   93   93   94 
LCS_GDT     T   107_A     T   107_A     11   13   99      7   10   10   11   11   12   13   14   15   15   23   29   40   46   55   62   72   82   88   91 
LCS_GDT     I   108_A     I   108_A     11   13   99      7   10   10   11   11   12   13   14   15   21   25   31   41   46   52   62   68   79   87   90 
LCS_GDT     Q   109_A     Q   109_A     11   13   99      7   10   10   11   11   12   13   14   19   23   32   41   47   57   62   70   84   86   89   93 
LCS_GDT     D   110_A     D   110_A     11   13   99      7   10   10   11   11   12   13   14   15   15   18   22   31   42   48   53   60   66   77   85 
LCS_GDT     L   111_A     L   111_A     11   13   98      7   10   10   11   11   12   13   14   15   15   17   18   24   28   37   38   48   49   58   66 
LCS_GDT     C   112_A     C   112_A     11   13   20      7   10   10   11   11   12   13   14   15   15   18   22   30   34   43   46   50   56   60   66 
LCS_GDT     A   113_A     A   113_A     11   13   20      5   10   10   11   11   12   13   14   15   15   18   22   26   31   37   45   48   56   60   66 
LCS_GDT     K   114_A     K   114_A     11   13   20      3    3    5   11   11   12   12   13   14   15   17   17   19   19   20   23   24   27   31   36 
LCS_GDT     D   115_A     D   115_A      4    5   20      3    3    4    4    5    5    6   10   13   15   17   17   17   18   18   20   21   22   23   26 
LCS_GDT     F   116_A     F   116_A      4    5   20      3    3    4    4    7   10   13   14   15   15   17   17   18   19   20   21   25   27   37   39 
LCS_GDT     H   117_A     H   117_A      4    5   20      3    3    4    4    5    7   13   14   15   15   17   17   19   19   20   23   24   27   31   36 
LCS_AVERAGE  LCS_A:  48.02  (  17.05   37.85   89.17 )

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     20     39     51     62     72     78     82     83     85     88     88     90     90     91     91     92     93     93     93     94 
GDT PERCENT_AT  18.87  36.79  48.11  58.49  67.92  73.58  77.36  78.30  80.19  83.02  83.02  84.91  84.91  85.85  85.85  86.79  87.74  87.74  87.74  88.68
GDT RMS_LOCAL    0.38   0.67   0.90   1.17   1.41   1.62   1.74   1.82   1.95   2.21   2.21   2.42   2.42   2.63   2.63   2.84   3.12   3.12   3.12   3.33
GDT RMS_ALL_AT   9.71   9.37   9.38   9.76   9.73   9.64   9.70   9.64   9.62   9.55   9.55   9.49   9.49   9.37   9.37   9.32   9.14   9.14   9.14   9.12

# Checking swapping
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  Y    58_A      Y    58_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  Y   102_A      Y   102_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  D   115_A      D   115_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A    18.890     0    0.402   0.824    24.521    0.000    0.000
LGA    D    13_A      D    13_A    12.563     0    0.317   1.000    16.780    0.833    0.417
LGA    P    14_A      P    14_A     7.238     0    0.169   0.539     9.580   15.000    9.864
LGA    G    15_A      G    15_A     6.985     0    0.154   0.154     7.347   20.238   20.238
LGA    I    16_A      I    16_A     2.649     0    0.507   0.427     5.606   60.000   50.714
LGA    N    17_A      N    17_A     1.003     0    0.317   1.166     5.094   79.286   65.357
LGA    R    18_A      R    18_A     1.566     0    0.189   1.236     3.880   75.000   65.974
LGA    K    19_A      K    19_A     0.951     0    0.181   0.911     2.156   90.595   78.942
LGA    A    20_A      A    20_A     0.805     0    0.084   0.081     1.279   90.476   88.667
LGA    I    21_A      I    21_A     0.594     0    0.118   0.159     1.574   92.857   86.071
LGA    N    22_A      N    22_A     1.836     0    0.041   1.081     5.079   68.810   57.679
LGA    F    23_A      F    23_A     2.270     0    0.086   0.187     2.270   64.762   69.221
LGA    D    24_A      D    24_A     1.653     0    0.081   0.493     2.211   77.143   73.988
LGA    L    25_A      L    25_A     1.489     0    0.656   0.664     3.115   73.571   73.274
LGA    S    26_A      S    26_A     1.707     0    0.213   0.235     2.565   72.857   68.889
LGA    T    27_A      T    27_A     2.105     0    0.022   0.113     2.379   66.786   65.918
LGA    K    28_A      K    28_A     2.320     0    0.066   1.068     6.919   66.786   45.979
LGA    S    29_A      S    29_A     1.523     0    0.042   0.638     2.756   72.857   71.667
LGA    L    30_A      L    30_A     1.828     0    0.091   1.355     3.916   72.857   70.238
LGA    E    31_A      E    31_A     2.452     0    0.160   0.234     2.869   62.857   59.683
LGA    K    32_A      K    32_A     2.420     0    0.072   1.002     9.855   64.762   39.630
LGA    Y    33_A      Y    33_A     2.122     0    0.123   0.274     3.242   68.810   60.476
LGA    F    34_A      F    34_A     2.471     0    0.667   0.609     4.420   59.405   50.519
LGA    K    35_A      K    35_A     2.176     0    0.079   0.434     4.786   69.048   53.545
LGA    D    36_A      D    36_A     1.500     0    0.117   0.278     1.843   75.000   76.071
LGA    T    37_A      T    37_A     1.860     0    0.148   0.152     2.591   72.857   68.299
LGA    R    38_A      R    38_A     1.037     0    0.110   1.514     9.020   85.952   51.602
LGA    E    39_A      E    39_A     0.513     0    0.054   1.034     4.593   95.238   71.164
LGA    P    40_A      P    40_A     0.421     0    0.058   0.371     0.753  100.000   95.918
LGA    Y    41_A      Y    41_A     0.258     0    0.050   0.339     1.818   97.619   89.921
LGA    S    42_A      S    42_A     0.482     0    0.016   0.639     2.019   97.619   90.952
LGA    L    43_A      L    43_A     0.150     0    0.012   1.409     3.369  100.000   83.988
LGA    I    44_A      I    44_A     0.617     0    0.077   0.243     1.530   92.857   89.464
LGA    K    45_A      K    45_A     0.610     0    0.062   0.837     4.558   92.857   73.333
LGA    K    46_A      K    46_A     0.579     0    0.033   1.099     6.152   92.857   70.265
LGA    F    47_A      F    47_A     0.504     0    0.018   1.513     7.050   95.238   62.987
LGA    M    48_A      M    48_A     0.520     0    0.037   0.274     0.905   95.238   95.238
LGA    L    49_A      L    49_A     0.758     0    0.044   0.495     2.021   90.476   85.000
LGA    E    50_A      E    50_A     0.602     0    0.111   0.269     1.283   95.238   90.582
LGA    N    51_A      N    51_A     0.313     0    0.374   1.054     4.890   88.452   67.679
LGA    G    52_A      G    52_A     1.540     0    0.107   0.107     1.540   79.286   79.286
LGA    F    53_A      F    53_A     0.731     0    0.129   0.579     2.858   92.857   80.390
LGA    E    54_A      E    54_A     0.641     0    0.084   0.757     1.780   90.595   86.561
LGA    H    55_A      H    55_A     0.675     0    0.197   1.244     6.597   88.452   58.619
LGA    R    56_A      R    56_A     1.114     0    0.636   1.425     3.914   81.786   72.294
LGA    Q    57_A      Q    57_A     3.082     0    0.561   0.996     8.671   43.333   29.471
LGA    Y    58_A      Y    58_A     6.170     0    0.366   1.275    13.496   22.857    9.603
LGA    S    59_A      S    59_A     5.085     0    0.521   0.487     7.519   29.286   23.571
LGA    G    60_A      G    60_A     0.125     0    0.270   0.270     1.401   95.357   95.357
LGA    Y    61_A      Y    61_A     0.082     0    0.145   0.150     1.352   97.619   92.143
LGA    T    62_A      T    62_A     0.907     0    0.155   0.180     1.534   90.476   85.374
LGA    S    63_A      S    63_A     0.651     0    0.135   0.545     2.606   77.738   76.429
LGA    K    64_A      K    64_A     3.454     0    0.268   0.752    10.000   55.476   32.593
LGA    E    65_A      E    65_A     1.806     0    0.236   0.962     5.578   64.881   57.778
LGA    P    66_A      P    66_A     1.828     0    0.639   0.649     3.632   63.452   67.483
LGA    I    67_A      I    67_A     3.428     0    0.437   0.635     8.410   38.571   24.583
LGA    N    68_A      N    68_A     5.108     0    0.677   1.195     7.857   34.524   23.155
LGA    E    69_A      E    69_A     5.491     0    0.080   1.131     6.446   28.810   27.513
LGA    R    70_A      R    70_A     3.437     0    0.079   1.779    12.068   55.714   28.831
LGA    R    71_A      R    71_A     1.182     0    0.079   1.222     8.122   77.143   53.030
LGA    V    72_A      V    72_A     3.199     0    0.032   0.048     4.979   55.357   45.918
LGA    I    73_A      I    73_A     3.310     0    0.110   1.431     7.407   51.786   41.845
LGA    R    74_A      R    74_A     1.579     0    0.022   1.359     8.603   79.405   50.087
LGA    I    75_A      I    75_A     1.054     0    0.050   0.158     3.208   85.952   71.667
LGA    I    76_A      I    76_A     2.595     0    0.057   0.056     4.535   62.857   50.060
LGA    N    77_A      N    77_A     2.779     0    0.093   1.321     8.130   62.857   42.083
LGA    K    78_A      K    78_A     1.683     0    0.046   0.717     6.703   77.143   52.963
LGA    L    79_A      L    79_A     0.373     0    0.037   0.925     2.525  100.000   86.607
LGA    T    80_A      T    80_A     2.025     0    0.077   1.163     5.154   67.024   59.456
LGA    K    81_A      K    81_A     3.353     0    0.044   0.288     5.979   50.119   38.095
LGA    K    82_A      K    82_A     2.731     0    0.057   0.978     7.404   60.952   42.434
LGA    F    83_A      F    83_A     1.110     0    0.153   0.299     1.617   83.690   81.515
LGA    T    84_A      T    84_A     1.242     0    0.151   1.037     4.034   88.214   79.048
LGA    W    85_A      W    85_A     0.856     0    0.187   1.135     8.042   92.857   50.442
LGA    L    86_A      L    86_A     0.813     0    0.029   1.316     3.298   90.476   75.060
LGA    G    87_A      G    87_A     1.586     0    0.059   0.059     1.611   77.143   77.143
LGA    E    88_A      E    88_A     1.118     0    0.099   1.059     4.710   83.690   65.926
LGA    C    89_A      C    89_A     0.729     0    0.047   0.748     1.513   90.476   86.032
LGA    V    90_A      V    90_A     1.104     0    0.155   1.163     4.272   79.524   67.347
LGA    K    91_A      K    91_A     1.597     0    0.211   0.607     5.484   81.548   61.958
LGA    E    92_A      E    92_A     1.836     0    0.042   1.147     4.704   75.000   65.661
LGA    F    93_A      F    93_A     1.659     0    0.168   0.291     1.795   77.143   79.091
LGA    D    94_A      D    94_A     1.560     0    0.048   0.724     2.597   72.857   70.893
LGA    I    95_A      I    95_A     0.947     0    0.045   0.139     1.097   85.952   88.214
LGA    T    96_A      T    96_A     0.981     0    0.083   1.261     2.988   85.952   79.320
LGA    E    97_A      E    97_A     0.804     0    0.078   0.424     3.863   90.476   76.667
LGA    I    98_A      I    98_A     1.726     0    0.107   0.782     3.277   77.143   67.202
LGA    G    99_A      G    99_A     1.483     0    0.035   0.035     3.208   69.405   69.405
LGA    E   100_A      E   100_A     2.970     0    0.051   1.089     9.179   55.357   33.704
LGA    Q   101_A      Q   101_A     2.310     0    0.050   0.841     2.940   60.952   66.720
LGA    Y   102_A      Y   102_A     5.030     0    0.029   1.309    13.346   30.476   13.016
LGA    S   103_A      S   103_A     6.617     0    0.120   0.582    10.184    8.333   10.635
LGA    L   104_A      L   104_A    11.166     0    0.251   0.906    13.795    0.714    0.357
LGA    K   105_A      K   105_A    10.887     0    0.108   1.127    13.383    0.000    0.212
LGA    E   106_A      E   106_A    13.888     0    0.064   1.336    16.895    0.000    0.000
LGA    T   107_A      T   107_A    16.593     0    0.058   0.151    19.119    0.000    0.000
LGA    I   108_A      I   108_A    17.383     0    0.054   0.173    19.561    0.000    0.000
LGA    Q   109_A      Q   109_A    18.248     0    0.023   0.578    21.491    0.000    0.000
LGA    D   110_A      D   110_A    21.463     0    0.014   0.268    24.484    0.000    0.000
LGA    L   111_A      L   111_A    23.769     0    0.030   0.099    26.514    0.000    0.000
LGA    C   112_A      C   112_A    24.509     0    0.421   0.445    26.984    0.000    0.000
LGA    A   113_A      A   113_A    27.212     0    0.154   0.159    31.130    0.000    0.000
LGA    K   114_A      K   114_A    30.866     0    0.376   0.793    35.492    0.000    0.000
LGA    D   115_A      D   115_A    36.854     0    0.120   1.112    40.300    0.000    0.000
LGA    F   116_A      F   116_A    37.138     0    0.631   1.471    38.682    0.000    0.000
LGA    H   117_A      H   117_A    37.242     0    0.206   0.772    39.085    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     891    891  100.00               106
SUMMARY(RMSD_GDC):     7.881          7.949                  8.408           62.001   53.210

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     83    1.82    65.094    61.925     4.331

LGA_LOCAL      RMSD:   1.817  Number of atoms:   83  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.637  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   7.881  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.539475 * X  +  -0.835954 * Y  +   0.100736 * Z  +  30.099485
  Y_new =  -0.831078 * X  +   0.509443 * Y  +  -0.223107 * Z  + -31.669222
  Z_new =   0.135188 * X  +  -0.204080 * Y  +  -0.969575 * Z  +  22.111111 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.146557 -0.135603 -2.934136   [DEG: -122.9887   -7.7695 -168.1136 ]
ZXZ:  0.424113  2.894284  2.556532   [DEG:   24.2999  165.8303  146.4785 ]
 
# END of job
