
#######################################################
#                                                     #
#                        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:    85      17_A - 101_A       4.87     7.79
  LCS_AVERAGE:     71.93

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46      17_A - 62_A        1.74    10.06
  LCS_AVERAGE:     33.47

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      17_A - 56_A        0.98    10.85
  LONGEST_CONTINUOUS_SEGMENT:    40      18_A - 57_A        1.00    10.81
  LCS_AVERAGE:     26.73

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     40   46   85      7   19   38   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     E    18_A     E    18_A     40   46   85      9   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     E    19_A     E    19_A     40   46   85      9   30   39   42   44   49   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     M    20_A     M    20_A     40   46   85      9   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     N    21_A     N    21_A     40   46   85     14   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     K    22_A     K    22_A     40   46   85      7   30   39   42   44   49   53   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     V    23_A     V    23_A     40   46   85      7   30   39   42   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     H    24_A     H    24_A     40   46   85      9   30   39   42   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     N    25_A     N    25_A     40   46   85     10   30   39   42   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     I    26_A     I    26_A     40   46   85     10   30   39   42   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     K    27_A     K    27_A     40   46   85     10   30   39   42   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     C    28_A     C    28_A     40   46   85     10   30   39   42   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     H    29_A     H    29_A     40   46   85      3   18   37   42   44   47   52   56   60   66   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     F    30_A     F    30_A     40   46   85     10   30   39   42   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     D    31_A     D    31_A     40   46   85     10   30   39   42   44   49   53   57   60   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     N    32_A     N    32_A     40   46   85      4   15   38   42   44   49   53   57   60   66   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     C    33_A     C    33_A     40   46   85      4   30   39   42   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     N    34_A     N    34_A     40   46   85      4   15   39   42   44   49   53   57   60   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     R    35_A     R    35_A     40   46   85      4   30   39   42   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     K    36_A     K    36_A     40   46   85     10   30   39   42   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     I    37_A     I    37_A     40   46   85     10   30   39   42   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     H    38_A     H    38_A     40   46   85     10   30   39   42   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     W    39_A     W    39_A     40   46   85      9   22   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     K    40_A     K    40_A     40   46   85     11   28   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     I    41_A     I    41_A     40   46   85      9   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     R    42_A     R    42_A     40   46   85     10   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     Y    43_A     Y    43_A     40   46   85     11   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     G    44_A     G    44_A     40   46   85      9   29   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     K    45_A     K    45_A     40   46   85      6   21   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     L    46_A     L    46_A     40   46   85      7   24   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     R    47_A     R    47_A     40   46   85      7   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     L    48_A     L    48_A     40   46   85     11   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     V    49_A     V    49_A     40   46   85     11   29   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     D    50_A     D    50_A     40   46   85     11   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     H    51_A     H    51_A     40   46   85     11   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     A    52_A     A    52_A     40   46   85     11   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     L    53_A     L    53_A     40   46   85     11   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     S    54_A     S    54_A     40   46   85     11   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     H    55_A     H    55_A     40   46   85     11   30   39   42   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     Q    56_A     Q    56_A     40   46   85     11   30   39   42   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     E    57_A     E    57_A     40   46   85      5   21   39   42   44   50   54   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     E    58_A     E    58_A     29   46   85      7   22   39   42   44   50   55   58   60   66   71   76   78   80   82   85   88   90   92   93 
LCS_GDT     K    59_A     K    59_A     28   46   85      3    4    5   18   24   42   50   55   60   65   68   71   77   80   82   85   88   90   92   93 
LCS_GDT     S    60_A     S    60_A     31   46   85      3    4   17   40   43   45   50   55   60   65   68   70   73   78   82   85   87   87   91   93 
LCS_GDT     I    61_A     I    61_A     31   46   85     20   28   33   38   44   49   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     D    62_A     D    62_A     31   46   85     20   28   33   38   43   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     C    63_A     C    63_A     31   37   85     20   28   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     Q    64_A     Q    64_A     31   37   85     20   28   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     K    65_A     K    65_A     31   37   85     20   28   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     C    66_A     C    66_A     31   37   85     20   28   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     E    67_A     E    67_A     31   37   85     20   28   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     Y    68_A     Y    68_A     31   37   85     20   28   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     S    69_A     S    69_A     31   37   85     15   28   33   38   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     C    70_A     C    70_A     31   37   85      4   28   33   38   42   47   55   58   60   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     Q    71_A     Q    71_A     31   37   85     20   28   33   39   44   47   55   58   60   65   68   73   78   80   82   85   88   90   92   93 
LCS_GDT     T    72_A     T    72_A     31   37   85     20   28   35   41   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     T    73_A     T    73_A     31   37   85     13   28   33   38   44   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     R    74_A     R    74_A     31   37   85     20   28   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     Q    75_A     Q    75_A     31   37   85     20   28   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     M    76_A     M    76_A     31   37   85     20   28   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     R    77_A     R    77_A     31   37   85     20   28   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     Y    78_A     Y    78_A     31   37   85     20   28   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     H    79_A     H    79_A     31   37   85     20   28   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     Y    80_A     Y    80_A     31   37   85     13   28   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     K    81_A     K    81_A     31   37   85     13   28   33   38   42   50   55   58   60   65   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     K    82_A     K    82_A     31   37   85     20   28   33   38   42   50   55   58   60   65   71   76   78   80   84   87   88   90   92   93 
LCS_GDT     I    83_A     I    83_A     31   37   85     20   28   33   38   42   50   55   58   60   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     H    84_A     H    84_A     31   37   85     20   28   33   38   42   50   55   58   60   66   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     A    85_A     A    85_A     31   37   85     20   28   33   38   42   47   55   58   60   65   68   73   77   80   84   87   88   90   92   93 
LCS_GDT     N    86_A     N    86_A     31   37   85      4   28   33   38   42   47   55   58   60   65   68   71   77   79   84   87   88   90   92   93 
LCS_GDT     L    87_A     L    87_A     31   37   85      4   12   33   38   42   47   55   58   60   65   68   73   77   80   84   87   88   90   92   93 
LCS_GDT     K    88_A     K    88_A     31   37   85      4   15   33   38   42   50   55   58   60   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     M    89_A     M    89_A     31   37   85      5   20   33   38   42   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     E    90_A     E    90_A     31   37   85      4   10   25   38   42   50   55   58   60   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     G    91_A     G    91_A      3   37   85      3    3   14   29   39   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     F    92_A     F    92_A      3   37   85      3    5   22   30   40   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     G    93_A     G    93_A      5   37   85      3    4    6    9   16   23   40   48   55   65   71   76   78   80   82   86   88   90   92   93 
LCS_GDT     I    94_A     I    94_A      5   37   85      3    4   15   30   44   49   53   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     L    95_A     L    95_A      6   15   85      3    5   24   28   44   49   53   57   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     N    96_A     N    96_A      8   15   85      4    6   14   21   35   50   55   58   61   67   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     I    97_A     I    97_A      8   15   85      4    6    8   11   13   20   25   42   54   66   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     P    98_A     P    98_A      8   15   85      3    6    8   11   13   16   22   29   33   41   51   61   76   79   84   87   88   90   92   93 
LCS_GDT     L    99_A     L    99_A      8   15   85      4    6    8   11   14   16   22   29   33   41   48   58   66   79   84   87   88   90   92   93 
LCS_GDT     Q   100_A     Q   100_A     12   15   85      6   12   13   13   14   16   22   29   33   41   48   54   62   70   81   87   88   90   92   93 
LCS_GDT     N   101_A     N   101_A     12   15   85      6   12   13   13   14   16   21   29   31   40   47   54   61   65   70   80   86   88   91   92 
LCS_GDT     T   102_A     T   102_A     12   15   64      8   12   13   13   14   16   18   22   27   30   39   44   55   60   64   70   76   81   89   91 
LCS_GDT     K   103_A     K   103_A     12   15   29      8   12   13   13   14   16   18   22   26   31   39   44   55   60   64   70   76   79   87   91 
LCS_GDT     F   104_A     F   104_A     12   15   29      8   12   13   13   14   17   22   29   33   41   47   54   61   71   81   87   88   90   92   93 
LCS_GDT     S   105_A     S   105_A     12   15   29      8   12   13   13   14   17   22   29   33   41   51   58   68   79   84   87   88   90   92   93 
LCS_GDT     D   106_A     D   106_A     12   15   29      8   12   13   13   14   17   22   28   31   39   47   54   61   70   78   87   88   90   92   93 
LCS_GDT     V   107_A     V   107_A     12   15   29      8   12   13   13   14   17   22   29   33   41   51   60   66   79   84   87   88   90   92   93 
LCS_GDT     W   108_A     W   108_A     12   14   29      8   12   13   13   14   22   27   41   54   63   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     N   109_A     N   109_A     12   14   29      8   12   13   13   14   16   22   29   40   53   64   76   78   80   84   87   88   90   92   93 
LCS_GDT     K   110_A     K   110_A     12   14   29      4   12   13   13   14   16   27   34   49   60   71   76   78   80   84   87   88   90   92   93 
LCS_GDT     C   111_A     C   111_A     12   14   29      3    8   13   13   14   27   46   55   60   66   72   76   78   80   84   87   88   90   92   93 
LCS_GDT     F   112_A     F   112_A      4   14   29      3    4    9   12   37   43   46   50   53   59   63   69   78   80   82   86   88   90   92   93 
LCS_GDT     G   113_A     G   113_A      4    6   29      3    4    6   10   15   43   45   50   52   55   60   63   78   79   81   84   87   88   90   92 
LCS_GDT     D   114_A     D   114_A      4    7   28      3    6    6    8    8    9   12   14   17   18   33   37   41   49   50   51   53   56   64   76 
LCS_GDT     Q   115_A     Q   115_A      4    7   24      3    6    6    8   10   12   14   16   17   18   20   22   24   25   48   49   49   56   57   57 
LCS_GDT     L   116_A     L   116_A      3    7   24      3    3    5    8   10   12   14   16   17   18   33   37   43   49   50   51   53   56   59   65 
LCS_GDT     K   117_A     K   117_A      4    7   24      4    6    6    8   10   12   14   16   17   18   20   22   24   25   25   29   31   46   52   55 
LCS_GDT     T   118_A     T   118_A      4    7   24      4    6    6    7   13   14   14   16   17   18   20   22   24   25   25   29   31   33   35   38 
LCS_GDT     I   119_A     I   119_A      4    7   24      4    6    6    6    9    9   10   15   17   18   19   22   24   25   25   29   31   33   35   38 
LCS_GDT     G   120_A     G   120_A      4    7   24      4    6    6    6    9    9   12   14   15   18   20   22   24   25   25   29   31   33   47   47 
LCS_AVERAGE  LCS_A:  44.04  (  26.73   33.47   71.93 )

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     30     39     42     44     50     55     58     61     67     72     76     78     80     84     87     88     90     92     93 
GDT PERCENT_AT  19.23  28.85  37.50  40.38  42.31  48.08  52.88  55.77  58.65  64.42  69.23  73.08  75.00  76.92  80.77  83.65  84.62  86.54  88.46  89.42
GDT RMS_LOCAL    0.32   0.69   0.94   1.04   1.15   2.14   2.25   2.35   3.02   3.29   3.55   3.71   3.87   3.95   4.52   4.89   4.70   5.02   5.12   5.19
GDT RMS_ALL_AT  12.22  11.19  10.77  10.86  10.68   9.30   9.69   9.60   7.86   7.83   7.78   7.79   7.79   7.88   7.72   7.76   7.73   7.73   7.71   7.71

# 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:  F    92_A      F    92_A
#   possible swapping detected:  F   104_A      F   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A     3.405     4    0.058   0.065     4.219   61.905   31.640
LGA    E    18_A      E    18_A     0.395     4    0.090   0.102     1.698   83.929   46.349
LGA    E    19_A      E    19_A     3.530     4    0.171   0.179     5.075   53.690   26.772
LGA    M    20_A      M    20_A     2.179     0    0.015   0.329     4.217   77.619   61.429
LGA    N    21_A      N    21_A     1.401     0    0.033   0.929     3.743   70.476   67.679
LGA    K    22_A      K    22_A     4.509     0    0.019   0.724    10.796   40.833   23.492
LGA    V    23_A      V    23_A     6.093     0    0.018   0.024     7.550   14.762   13.673
LGA    H    24_A      H    24_A     7.041     0    0.147   0.226     8.095   14.643   14.048
LGA    N    25_A      N    25_A     9.398     0    0.042   0.987    12.827    1.071    0.536
LGA    I    26_A      I    26_A     8.623     0    0.051   0.108     9.171    2.500    5.179
LGA    K    27_A      K    27_A    10.924     0    0.034   0.252    16.237    0.000    0.000
LGA    C    28_A      C    28_A    10.173     0    0.140   0.661    13.295    0.000    0.556
LGA    H    29_A      H    29_A    13.546     0    0.015   1.107    18.068    0.000    0.000
LGA    F    30_A      F    30_A    11.582     0    0.054   1.223    13.349    0.000    0.303
LGA    D    31_A      D    31_A    14.314     0    0.102   0.160    16.025    0.000    0.000
LGA    N    32_A      N    32_A    15.170     0    0.051   0.266    16.693    0.000    0.000
LGA    C    33_A      C    33_A    12.766     0    0.074   0.125    13.467    0.000    0.000
LGA    N    34_A      N    34_A    13.240     0    0.106   0.164    15.282    0.000    0.000
LGA    R    35_A      R    35_A    11.852     0    0.021   0.689    13.121    0.000    0.000
LGA    K    36_A      K    36_A    10.643     0    0.073   0.820    18.045    0.238    0.106
LGA    I    37_A      I    37_A     7.579     0    0.045   0.593     8.524    6.786   13.155
LGA    H    38_A      H    38_A     7.634     0    0.207   1.050    13.474   12.143    5.143
LGA    W    39_A      W    39_A     3.031     0    0.009   1.360     4.836   43.929   52.245
LGA    K    40_A      K    40_A     1.155     0    0.022   0.129     4.907   88.571   66.984
LGA    I    41_A      I    41_A     1.720     0    0.041   0.120     3.940   71.310   59.881
LGA    R    42_A      R    42_A     3.067     0    0.083   1.434     7.756   50.476   35.584
LGA    Y    43_A      Y    43_A     2.939     0    0.019   0.120     3.832   55.357   52.460
LGA    G    44_A      G    44_A     2.656     0    0.044   0.044     2.656   67.143   67.143
LGA    K    45_A      K    45_A     1.156     0    0.024   1.213     3.038   83.810   71.640
LGA    L    46_A      L    46_A     1.262     0    0.061   1.385     3.761   81.429   74.524
LGA    R    47_A      R    47_A     1.818     0    0.059   1.488    11.116   72.976   41.255
LGA    L    48_A      L    48_A     2.014     0    0.051   0.142     4.033   68.810   59.702
LGA    V    49_A      V    49_A     1.294     0    0.021   0.084     2.590   85.952   76.939
LGA    D    50_A      D    50_A     1.331     0    0.007   0.194     3.614   79.405   68.452
LGA    H    51_A      H    51_A     3.117     0    0.043   0.133     7.101   52.024   33.619
LGA    A    52_A      A    52_A     3.296     0    0.017   0.023     3.642   53.571   51.524
LGA    L    53_A      L    53_A     1.069     0    0.055   0.055     3.040   75.000   69.167
LGA    S    54_A      S    54_A     3.583     0    0.010   0.018     4.929   42.262   38.651
LGA    H    55_A      H    55_A     5.179     0    0.017   0.170     7.796   29.048   20.238
LGA    Q    56_A      Q    56_A     3.658     0    0.010   1.112     3.838   46.667   52.540
LGA    E    57_A      E    57_A     3.965     4    0.080   0.088     4.862   48.452   25.026
LGA    E    58_A      E    58_A     1.570     4    0.655   0.599     3.141   65.119   35.291
LGA    K    59_A      K    59_A     4.563     0    0.242   0.578    10.392   30.238   17.196
LGA    S    60_A      S    60_A     5.094     0    0.673   0.578     6.819   35.952   28.413
LGA    I    61_A      I    61_A     2.351     0    0.082   0.631     3.152   61.071   70.298
LGA    D    62_A      D    62_A     2.331     0    0.015   0.149     3.159   64.762   60.060
LGA    C    63_A      C    63_A     1.535     0    0.108   0.175     2.039   70.833   74.365
LGA    Q    64_A      Q    64_A     2.343     0    0.052   0.742     2.747   64.881   72.434
LGA    K    65_A      K    65_A     1.453     0    0.168   0.230     3.367   79.286   72.275
LGA    C    66_A      C    66_A     1.059     0    0.060   0.099     1.594   79.286   80.000
LGA    E    67_A      E    67_A     1.766     4    0.078   0.078     2.828   69.048   38.783
LGA    Y    68_A      Y    68_A     1.882     0    0.022   1.289     9.137   68.810   43.929
LGA    S    69_A      S    69_A     2.454     0    0.006   0.685     2.973   60.952   62.302
LGA    C    70_A      C    70_A     2.790     0    0.073   0.701     3.404   57.143   57.222
LGA    Q    71_A      Q    71_A     3.305     0    0.065   0.320     4.980   48.333   43.545
LGA    T    72_A      T    72_A     2.430     0    0.040   0.086     2.697   64.881   63.741
LGA    T    73_A      T    73_A     1.883     0    0.046   0.121     2.404   75.119   70.680
LGA    R    74_A      R    74_A     1.220     0    0.032   1.427     6.751   81.429   64.026
LGA    Q    75_A      Q    75_A     1.568     0    0.024   0.254     3.809   79.286   65.556
LGA    M    76_A      M    76_A     1.038     0    0.017   1.027     3.328   85.952   75.833
LGA    R    77_A      R    77_A     1.006     0    0.040   1.072     5.703   83.690   60.476
LGA    Y    78_A      Y    78_A     1.577     0    0.011   1.221     9.682   75.000   43.571
LGA    H    79_A      H    79_A     1.139     0    0.030   0.134     1.482   81.429   82.333
LGA    Y    80_A      Y    80_A     1.390     0    0.047   0.428     3.614   79.405   65.476
LGA    K    81_A      K    81_A     2.467     0    0.024   1.076     5.315   62.976   48.360
LGA    K    82_A      K    82_A     2.466     0    0.035   0.872     6.755   64.762   47.619
LGA    I    83_A      I    83_A     1.946     0    0.039   0.059     2.105   70.833   70.833
LGA    H    84_A      H    84_A     1.964     0    0.077   0.199     2.592   66.905   78.429
LGA    A    85_A      A    85_A     3.215     0    0.024   0.027     3.828   50.119   50.095
LGA    N    86_A      N    86_A     3.068     3    0.081   0.083     3.258   51.786   33.036
LGA    L    87_A      L    87_A     2.990     0    0.611   1.318     4.942   47.143   46.429
LGA    K    88_A      K    88_A     0.910     0    0.322   1.131     6.414   85.952   63.968
LGA    M    89_A      M    89_A     1.445     0    0.687   1.399     6.403   65.595   52.143
LGA    E    90_A      E    90_A     1.860     0    0.466   0.881     6.520   72.976   53.651
LGA    G    91_A      G    91_A     2.484     0    0.182   0.182     3.663   61.667   61.667
LGA    F    92_A      F    92_A     2.766     0    0.015   0.298     7.674   55.476   39.264
LGA    G    93_A      G    93_A     5.502     0    0.481   0.481     5.502   38.214   38.214
LGA    I    94_A      I    94_A     3.926     0    0.058   1.348     6.116   40.357   31.548
LGA    L    95_A      L    95_A     5.555     0    0.096   0.104     9.904   25.357   14.762
LGA    N    96_A      N    96_A     3.582     0    0.149   1.101     6.009   35.476   47.321
LGA    I    97_A      I    97_A     6.748     0    0.074   0.127     8.621   11.310   14.940
LGA    P    98_A      P    98_A    12.236     0    0.195   0.378    13.652    0.000    0.000
LGA    L    99_A      L    99_A    13.655     0    0.063   0.058    16.339    0.000    0.179
LGA    Q   100_A      Q   100_A    17.272     0    0.413   1.041    20.250    0.000    0.000
LGA    N   101_A      N   101_A    20.078     0    0.234   0.771    21.734    0.000    0.000
LGA    T   102_A      T   102_A    22.374     0    0.022   0.070    25.351    0.000    0.000
LGA    K   103_A      K   103_A    22.416     0    0.021   0.810    27.565    0.000    0.000
LGA    F   104_A      F   104_A    17.008     0    0.027   1.449    18.921    0.000    0.000
LGA    S   105_A      S   105_A    15.716     0    0.043   0.064    16.898    0.000    0.000
LGA    D   106_A      D   106_A    17.750     0    0.065   0.764    19.774    0.000    0.000
LGA    V   107_A      V   107_A    16.307     0    0.015   0.965    19.569    0.000    0.000
LGA    W   108_A      W   108_A    11.708     0    0.272   1.205    13.389    0.000    0.000
LGA    N   109_A      N   109_A    11.729     0    0.274   0.747    16.919    0.000    0.000
LGA    K   110_A      K   110_A    12.805     0    0.355   1.207    22.732    0.000    0.000
LGA    C   111_A      C   111_A    11.343     0    0.033   0.753    14.094    0.000    0.238
LGA    F   112_A      F   112_A    12.453     0    0.087   1.381    14.450    0.000    0.087
LGA    G   113_A      G   113_A    13.258     0    0.588   0.588    15.972    0.000    0.000
LGA    D   114_A      D   114_A    18.918     3    0.311   0.330    21.360    0.000    0.000
LGA    Q   115_A      Q   115_A    18.871     0    0.186   0.614    22.162    0.000    0.000
LGA    L   116_A      L   116_A    18.668     0    0.317   0.764    21.020    0.000    0.000
LGA    K   117_A      K   117_A    23.433     0    0.154   1.005    28.014    0.000    0.000
LGA    T   118_A      T   118_A    21.616     0    0.044   0.132    21.958    0.000    0.000
LGA    I   119_A      I   119_A    21.195     0    0.285   1.322    23.238    0.000    0.000
LGA    G   120_A      G   120_A    23.333     0    0.066   0.066    23.333    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):     7.610          7.612                  7.763           39.477   33.348

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     58    2.35    52.163    48.739     2.365

LGA_LOCAL      RMSD:   2.352  Number of atoms:   58  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.599  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   7.610  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.113036 * X  +  -0.957471 * Y  +  -0.265465 * Z  +   6.344643
  Y_new =  -0.543213 * X  +  -0.164160 * Y  +   0.823390 * Z  +  30.223433
  Z_new =  -0.831951 * X  +   0.237277 * Y  +  -0.501555 * Z  +  44.243664 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.775957  0.982615  2.699709   [DEG: -101.7549   56.2997  154.6820 ]
ZXZ: -2.829710  2.096191 -1.292967   [DEG: -162.1304  120.1029  -74.0816 ]
 
# END of job
