
#######################################################
#                                                     #
#                        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   92 (  781),  selected   92 , name one
# Molecule2: number of CA atoms  106 (  891),  selected   92 , 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:    37      61_A - 97_A        4.95    22.85
  LONGEST_CONTINUOUS_SEGMENT:    37      62_A - 98_A        4.70    23.19
  LONGEST_CONTINUOUS_SEGMENT:    37      63_A - 99_A        4.87    23.32
  LONGEST_CONTINUOUS_SEGMENT:    37      64_A - 100_A       4.94    23.41
  LONGEST_CONTINUOUS_SEGMENT:    37      65_A - 101_A       4.76    23.58
  LONGEST_CONTINUOUS_SEGMENT:    37      66_A - 102_A       4.89    23.73
  LCS_AVERAGE:     32.10

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      65_A - 87_A        2.00    23.73
  LONGEST_CONTINUOUS_SEGMENT:    23      66_A - 88_A        1.73    24.06
  LCS_AVERAGE:     14.97

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      66_A - 85_A        0.98    23.79
  LONGEST_CONTINUOUS_SEGMENT:    20      67_A - 86_A        0.97    24.09
  LCS_AVERAGE:     10.63

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   92
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     N    17_A     N    17_A      3    3   11      3    5    9   11   12   13   16   17   17   18   21   25   25   27   29   32   34   38   41   44 
LCS_GDT     R    18_A     R    18_A      3    6   13      3    3    8   10   12   13   16   17   17   20   23   25   25   30   31   33   39   41   43   45 
LCS_GDT     K    19_A     K    19_A      5    7   14      3    5    9   11   12   13   16   17   17   18   21   25   26   27   30   34   38   43   47   51 
LCS_GDT     A    20_A     A    20_A      5    7   14      4    5    5    7    9   11   13   15   17   18   20   23   26   27   31   36   43   47   50   51 
LCS_GDT     I    21_A     I    21_A      5    7   36      4    5    5    7    9   11   13   15   17   18   20   23   26   27   31   36   44   47   50   51 
LCS_GDT     N    22_A     N    22_A      5    7   36      4    5    5    7    8   11   13   15   17   18   21   23   30   37   39   42   44   47   50   51 
LCS_GDT     F    23_A     F    23_A      5    7   36      4    5    5    7    8   11   11   15   17   18   21   33   33   37   39   42   44   47   50   51 
LCS_GDT     D    24_A     D    24_A      5   11   36      3    4    5    6    8   11   13   24   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     L    25_A     L    25_A     10   12   36      7    8   11   11   12   12   14   18   23   29   30   33   33   37   39   42   44   47   50   51 
LCS_GDT     S    26_A     S    26_A     10   12   36      7    8   11   11   12   12   18   25   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     T    27_A     T    27_A     10   12   36      7    8   11   11   12   12   13   17   24   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     K    28_A     K    28_A     10   12   36      7    8   11   11   12   12   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     S    29_A     S    29_A     10   12   36      7    8   11   11   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     L    30_A     L    30_A     10   12   36      7    8   11   11   12   14   23   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     E    31_A     E    31_A     10   12   36      7    8   11   11   12   19   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     K    32_A     K    32_A     10   22   36      4    8   11   11   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     Y    33_A     Y    33_A     10   22   36      4    6   11   13   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     F    34_A     F    34_A     10   22   36      4    6   11   11   12   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     K    35_A     K    35_A      6   22   36      3    6   11   15   19   22   24   26   28   29   30   33   35   37   39   42   44   46   50   51 
LCS_GDT     D    36_A     D    36_A      4   22   36      3    4    8   15   19   22   24   26   28   29   30   33   35   37   39   42   44   46   50   51 
LCS_GDT     T    37_A     T    37_A     16   22   36      5    8   13   17   17   21   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     R    38_A     R    38_A     16   22   36      5    9   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     E    39_A     E    39_A     16   22   36      5   14   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     P    40_A     P    40_A     16   22   36      5   14   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     Y    41_A     Y    41_A     16   22   36      5   14   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     S    42_A     S    42_A     16   22   36      9   14   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     L    43_A     L    43_A     16   22   36      9   14   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     I    44_A     I    44_A     16   22   36      5   14   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     K    45_A     K    45_A     16   22   36      9   14   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     K    46_A     K    46_A     16   22   36      9   14   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     F    47_A     F    47_A     16   22   36      9   14   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     M    48_A     M    48_A     16   22   36      9   14   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     L    49_A     L    49_A     16   22   36      9   14   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     E    50_A     E    50_A     16   22   36      9   14   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     N    51_A     N    51_A     16   22   36      9   14   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     G    52_A     G    52_A     16   22   36      3   14   15   17   19   22   24   26   28   29   30   33   35   37   38   42   44   46   50   51 
LCS_GDT     F    53_A     F    53_A     16   22   36      3   13   15   17   19   22   24   26   28   29   30   33   35   37   39   42   44   47   50   51 
LCS_GDT     E    54_A     E    54_A      4   20   36      3    4    6   10   15   17   19   23   26   27   30   32   35   37   39   42   44   47   50   51 
LCS_GDT     H    55_A     H    55_A      4   20   36      1    4    6   11   15   17   19   23   26   27   29   32   35   37   39   42   44   47   50   51 
LCS_GDT     R    56_A     R    56_A      3   14   36      0    3    5    7   11   15   18   21   25   26   29   32   34   37   38   42   44   47   50   51 
LCS_GDT     Q    57_A     Q    57_A      4    6   36      3    4    5    6    9   10   13   17   24   26   28   30   33   36   38   41   44   47   50   51 
LCS_GDT     Y    58_A     Y    58_A      4    6   36      3    4    5    8    9   13   17   23   25   26   28   31   34   36   38   41   44   47   50   51 
LCS_GDT     S    59_A     S    59_A      5    7   36      3    4    7    8    9   12   14   23   25   26   28   32   34   37   38   42   44   47   50   51 
LCS_GDT     G    60_A     G    60_A      6    7   36      4    5    7    8    9   14   17   23   25   26   28   32   34   37   39   42   44   47   50   51 
LCS_GDT     Y    61_A     Y    61_A      6    7   37      4    5    7    8    9   11   14   17   20   22   24   28   33   36   39   42   44   47   50   51 
LCS_GDT     T    62_A     T    62_A      6    7   37      4    5    7    8    9   11   16   17   20   22   25   26   31   32   34   37   43   47   50   51 
LCS_GDT     S    63_A     S    63_A      6    7   37      4    5    7    8    9   11   14   17   20   22   25   28   32   32   34   37   39   42   46   51 
LCS_GDT     K    64_A     K    64_A      6    7   37      3    5    6    8    9   11   14   17   20   21   23   28   29   30   34   35   39   41   43   45 
LCS_GDT     E    65_A     E    65_A      6   23   37      3    4    7    8    9   12   17   19   25   29   29   30   32   32   34   37   39   41   43   47 
LCS_GDT     P    66_A     P    66_A     20   23   37      5   11   18   19   22   24   26   26   27   29   30   32   33   35   36   37   39   42   46   51 
LCS_GDT     I    67_A     I    67_A     20   23   37      5   17   18   20   22   24   26   26   27   29   30   32   33   35   36   40   44   47   50   51 
LCS_GDT     N    68_A     N    68_A     20   23   37      4   17   18   20   22   24   26   26   27   29   30   32   33   35   36   40   43   47   50   51 
LCS_GDT     E    69_A     E    69_A     20   23   37      9   17   18   20   22   24   26   26   27   29   30   32   33   36   38   41   44   47   50   51 
LCS_GDT     R    70_A     R    70_A     20   23   37      9   17   18   20   22   24   26   26   27   29   30   32   33   36   38   42   44   47   50   51 
LCS_GDT     R    71_A     R    71_A     20   23   37      9   17   18   20   22   24   26   26   27   29   30   32   33   35   39   42   44   47   50   51 
LCS_GDT     V    72_A     V    72_A     20   23   37      9   17   18   20   22   24   26   26   27   29   30   32   35   37   39   42   44   47   50   51 
LCS_GDT     I    73_A     I    73_A     20   23   37      9   17   18   20   22   24   26   26   27   29   30   32   35   37   39   42   44   47   50   51 
LCS_GDT     R    74_A     R    74_A     20   23   37      9   17   18   20   22   24   26   26   27   29   30   33   35   37   39   42   44   46   49   50 
LCS_GDT     I    75_A     I    75_A     20   23   37      9   17   18   20   22   24   26   26   27   29   30   33   35   37   38   42   44   46   49   50 
LCS_GDT     I    76_A     I    76_A     20   23   37      9   17   18   20   22   24   26   26   27   29   30   32   33   35   38   40   43   44   46   48 
LCS_GDT     N    77_A     N    77_A     20   23   37      9   17   18   20   22   24   26   26   27   29   30   32   33   35   37   40   43   44   46   46 
LCS_GDT     K    78_A     K    78_A     20   23   37      9   17   18   20   22   24   26   26   27   29   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     L    79_A     L    79_A     20   23   37      9   17   18   20   22   24   26   26   27   29   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     T    80_A     T    80_A     20   23   37      6   17   18   20   22   24   26   26   27   29   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     K    81_A     K    81_A     20   23   37      6   13   18   20   22   24   26   26   27   29   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     K    82_A     K    82_A     20   23   37      5   17   18   20   22   24   26   26   27   29   30   32   33   35   36   36   39   41   43   45 
LCS_GDT     F    83_A     F    83_A     20   23   37      8   17   18   20   22   24   26   26   27   29   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     T    84_A     T    84_A     20   23   37      8   17   18   20   22   24   26   26   27   29   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     W    85_A     W    85_A     20   23   37      4   11   18   20   22   24   26   26   27   29   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     L    86_A     L    86_A     20   23   37      4    8   14   20   22   24   26   26   27   29   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     G    87_A     G    87_A     10   23   37      4    5    9   12   21   24   26   26   27   29   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     E    88_A     E    88_A      8   23   37      4    5    9   11   12   17   22   26   27   29   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     C    89_A     C    89_A      8   15   37      4    5    9   11   12   13   18   21   25   29   29   32   33   35   36   37   39   41   43   45 
LCS_GDT     V    90_A     V    90_A      8   14   37      3    5    9   11   12   13   16   21   24   28   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     K    91_A     K    91_A      4   13   37      3    3    4    4    6   11   16   21   24   28   30   32   33   35   36   36   37   40   42   44 
LCS_GDT     E    92_A     E    92_A      4    9   37      3    3    6   17   21   24   26   26   27   29   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     F    93_A     F    93_A      4    9   37      3   10   15   17   21   24   26   26   27   29   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     D    94_A     D    94_A      7    9   37      5    6    7    8   19   23   26   26   27   29   30   32   33   35   36   37   39   41   43   45 
LCS_GDT     I    95_A     I    95_A      7    9   37      5   12   15   20   22   24   26   26   27   29   30   32   33   35   36   37   39   41   44   47 
LCS_GDT     T    96_A     T    96_A      7    9   37      5    6    7    8    9   11   13   26   27   29   30   32   33   35   36   37   40   43   46   50 
LCS_GDT     E    97_A     E    97_A      7    9   37      5    6    7    8    9   11   13   25   27   29   29   32   33   35   36   37   40   43   47   51 
LCS_GDT     I    98_A     I    98_A      7    9   37      5    6    7    8    9   11   13   14   20   29   29   31   33   35   36   37   40   43   47   51 
LCS_GDT     G    99_A     G    99_A      7    9   37      5    6    7    8    9   11   13   15   18   20   22   27   33   35   36   37   39   41   46   51 
LCS_GDT     E   100_A     E   100_A      7    9   37      3    4    7    8    9   11   13   14   19   24   28   31   33   35   36   37   39   41   43   49 
LCS_GDT     Q   101_A     Q   101_A      4    9   37      4    4    4    6    9   11   13   14   19   24   26   31   33   35   36   37   39   41   43   49 
LCS_GDT     Y   102_A     Y   102_A      4    9   37      4    4    4    5    9   11   12   14   16   17   19   20   23   27   31   36   39   42   46   51 
LCS_GDT     S   103_A     S   103_A      6    6   16      4    4    5    6    7   11   12   14   15   17   17   20   23   28   32   35   37   42   46   51 
LCS_GDT     L   104_A     L   104_A      6    6   16      4    4    5    6    6    7   10   11   13   15   17   19   23   24   27   33   37   41   46   51 
LCS_GDT     K   105_A     K   105_A      6    6   16      4    4    5    6    7    9   12   14   16   18   18   20   23   26   31   34   37   41   46   51 
LCS_GDT     E   106_A     E   106_A      6    6   16      4    4    5    6    6    7   10   12   13   15   17   20   23   23   26   31   37   37   39   44 
LCS_GDT     T   107_A     T   107_A      6    6   10      4    4    5    6    6    7   10   12   13   15   15   19   23   23   24   26   31   34   37   40 
LCS_GDT     I   108_A     I   108_A      6    6   10      4    4    5    6    6    9   10   12   13   15   16   19   23   23   27   33   37   37   37   41 
LCS_AVERAGE  LCS_A:  19.23  (  10.63   14.97   32.10 )

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      9     17     18     20     22     24     26     26     28     29     30     33     35     37     39     42     44     47     50     51 
GDT PERCENT_AT   8.49  16.04  16.98  18.87  20.75  22.64  24.53  24.53  26.42  27.36  28.30  31.13  33.02  34.91  36.79  39.62  41.51  44.34  47.17  48.11
GDT RMS_LOCAL    0.20   0.62   0.68   0.97   1.26   1.53   1.84   1.84   2.92   2.51   2.80   4.02   4.38   4.71   5.21   5.34   5.61   6.28   6.47   6.67
GDT RMS_ALL_AT  18.54  23.87  23.93  24.09  24.14  24.37  24.73  24.73  19.49  24.49  24.64  18.61  17.10  16.51  16.77  16.75  16.26  16.08  16.00  15.91

# Checking swapping
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  Y    58_A      Y    58_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  F    93_A      F    93_A
#   possible swapping detected:  D    94_A      D    94_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  Y   102_A      Y   102_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    17_A      N    17_A    17.243     0    0.245   0.874    22.465    0.000    0.000
LGA    R    18_A      R    18_A    14.796     0    0.550   1.402    24.045    0.000    0.000
LGA    K    19_A      K    19_A    15.220     0    0.585   1.430    16.668    0.000    0.000
LGA    A    20_A      A    20_A    20.579     0    0.133   0.160    22.451    0.000    0.000
LGA    I    21_A      I    21_A    24.584     0    0.072   0.615    26.769    0.000    0.000
LGA    N    22_A      N    22_A    30.204     0    0.047   1.091    32.067    0.000    0.000
LGA    F    23_A      F    23_A    35.263     0    0.138   1.181    38.071    0.000    0.000
LGA    D    24_A      D    24_A    40.284     0    0.069   0.363    43.335    0.000    0.000
LGA    L    25_A      L    25_A    44.073     0    0.636   1.145    47.994    0.000    0.000
LGA    S    26_A      S    26_A    47.293     0    0.026   0.115    48.119    0.000    0.000
LGA    T    27_A      T    27_A    51.794     0    0.039   0.106    55.552    0.000    0.000
LGA    K    28_A      K    28_A    52.410     0    0.049   0.804    53.384    0.000    0.000
LGA    S    29_A      S    29_A    45.835     0    0.050   0.061    48.049    0.000    0.000
LGA    L    30_A      L    30_A    46.201     0    0.104   1.053    47.807    0.000    0.000
LGA    E    31_A      E    31_A    51.873     0    0.172   0.631    58.889    0.000    0.000
LGA    K    32_A      K    32_A    48.674     0    0.145   1.177    49.457    0.000    0.000
LGA    Y    33_A      Y    33_A    43.222     0    0.170   1.344    45.081    0.000    0.000
LGA    F    34_A      F    34_A    46.022     0    0.289   0.301    50.281    0.000    0.000
LGA    K    35_A      K    35_A    52.493     0    0.092   1.262    59.125    0.000    0.000
LGA    D    36_A      D    36_A    50.472     0    0.164   1.248    51.092    0.000    0.000
LGA    T    37_A      T    37_A    45.186     0    0.679   0.917    47.490    0.000    0.000
LGA    R    38_A      R    38_A    42.682     0    0.200   2.125    49.868    0.000    0.000
LGA    E    39_A      E    39_A    38.810     0    0.108   1.174    42.259    0.000    0.000
LGA    P    40_A      P    40_A    33.861     0    0.092   0.365    38.336    0.000    0.000
LGA    Y    41_A      Y    41_A    32.426     0    0.083   1.432    37.509    0.000    0.000
LGA    S    42_A      S    42_A    30.988     0    0.030   0.109    33.046    0.000    0.000
LGA    L    43_A      L    43_A    27.719     0    0.091   0.101    32.586    0.000    0.000
LGA    I    44_A      I    44_A    23.218     0    0.069   0.663    25.575    0.000    0.000
LGA    K    45_A      K    45_A    22.469     0    0.021   0.656    28.785    0.000    0.000
LGA    K    46_A      K    46_A    21.113     0    0.028   1.052    25.489    0.000    0.000
LGA    F    47_A      F    47_A    17.071     0    0.035   1.441    18.856    0.000    0.000
LGA    M    48_A      M    48_A    14.305     0    0.040   1.284    21.384    0.000    0.000
LGA    L    49_A      L    49_A    13.666     0    0.095   1.222    17.977    0.000    0.000
LGA    E    50_A      E    50_A    12.786     0    0.129   1.207    20.703    0.000    0.000
LGA    N    51_A      N    51_A     9.861     0    0.267   0.824    11.413    0.119    0.238
LGA    G    52_A      G    52_A    10.649     0    0.176   0.176    11.907    0.119    0.119
LGA    F    53_A      F    53_A    11.987     0    0.114   1.304    15.240    0.000    0.000
LGA    E    54_A      E    54_A    14.716     0    0.679   1.208    19.214    0.000    0.000
LGA    H    55_A      H    55_A    19.353     0    0.534   0.988    25.568    0.000    0.000
LGA    R    56_A      R    56_A    21.589     0    0.598   1.332    24.911    0.000    0.000
LGA    Q    57_A      Q    57_A    24.509     0    0.699   1.156    27.224    0.000    0.000
LGA    Y    58_A      Y    58_A    28.109     0    0.492   1.192    29.612    0.000    0.000
LGA    S    59_A      S    59_A    25.529     0    0.104   0.648    28.533    0.000    0.000
LGA    G    60_A      G    60_A    19.925     0    0.103   0.103    21.867    0.000    0.000
LGA    Y    61_A      Y    61_A    17.340     0    0.046   1.384    25.519    0.000    0.000
LGA    T    62_A      T    62_A    13.758     0    0.157   1.232    15.619    0.000    0.000
LGA    S    63_A      S    63_A    11.945     0    0.220   0.309    12.038    0.000    0.238
LGA    K    64_A      K    64_A    13.061     0    0.075   0.728    21.349    0.000    0.000
LGA    E    65_A      E    65_A     7.780     0    0.664   1.240    14.276   15.000    6.984
LGA    P    66_A      P    66_A     3.183     0    0.101   0.330     3.986   64.048   57.075
LGA    I    67_A      I    67_A     1.203     0    0.086   1.189     3.963   75.119   69.643
LGA    N    68_A      N    68_A     1.731     0    0.077   1.081     3.666   72.857   66.190
LGA    E    69_A      E    69_A     2.517     0    0.073   1.063     3.438   62.857   58.148
LGA    R    70_A      R    70_A     2.827     0    0.064   1.343     9.553   59.048   37.619
LGA    R    71_A      R    71_A     1.641     0    0.040   1.433     8.963   77.143   51.039
LGA    V    72_A      V    72_A     0.835     0    0.044   0.919     2.664   85.952   79.320
LGA    I    73_A      I    73_A     2.068     0    0.097   1.431     6.377   68.810   55.060
LGA    R    74_A      R    74_A     2.062     0    0.039   0.684     4.339   70.833   59.221
LGA    I    75_A      I    75_A     0.751     0    0.040   0.191     1.562   92.857   88.333
LGA    I    76_A      I    76_A     0.686     0    0.034   0.687     1.491   92.857   87.143
LGA    N    77_A      N    77_A     1.089     0    0.082   0.850     4.862   88.214   68.810
LGA    K    78_A      K    78_A     0.888     0    0.054   0.662     4.508   90.476   71.270
LGA    L    79_A      L    79_A     0.576     0    0.098   1.401     4.982   95.238   77.143
LGA    T    80_A      T    80_A     0.644     0    0.035   0.051     0.919   90.476   90.476
LGA    K    81_A      K    81_A     0.537     0    0.079   1.022     7.341   90.476   63.651
LGA    K    82_A      K    82_A     0.630     0    0.043   1.117     5.013   95.238   76.296
LGA    F    83_A      F    83_A     0.155     0    0.186   0.256     0.980   97.619   97.403
LGA    T    84_A      T    84_A     0.836     0    0.159   1.226     4.709   83.810   70.952
LGA    W    85_A      W    85_A     1.735     0    0.150   0.146     2.281   72.976   74.762
LGA    L    86_A      L    86_A     2.074     0    0.070   0.475     3.492   61.190   62.024
LGA    G    87_A      G    87_A     3.040     0    0.029   0.029     4.941   47.381   47.381
LGA    E    88_A      E    88_A     5.154     0    0.059   0.630     7.752   24.167   19.788
LGA    C    89_A      C    89_A     6.605     0    0.155   0.142     7.934   13.810   13.651
LGA    V    90_A      V    90_A     6.821     0    0.595   1.034     8.197   11.310   12.245
LGA    K    91_A      K    91_A     7.560     0    0.084   1.153    14.469   13.929    6.825
LGA    E    92_A      E    92_A     2.848     0    0.604   0.589     4.572   45.714   52.963
LGA    F    93_A      F    93_A     1.474     0    0.034   0.970     7.397   71.071   47.143
LGA    D    94_A      D    94_A     3.792     0    0.605   1.235     7.877   45.476   31.726
LGA    I    95_A      I    95_A     0.793     0    0.043   1.167     5.540   68.095   56.667
LGA    T    96_A      T    96_A     5.546     0    0.038   0.983     8.316   29.405   19.524
LGA    E    97_A      E    97_A     7.027     0    0.108   1.110    10.455    7.024    4.180
LGA    I    98_A      I    98_A     9.561     0    0.150   1.070    11.977    2.262    1.548
LGA    G    99_A      G    99_A    13.931     0    0.637   0.637    15.936    0.000    0.000
LGA    E   100_A      E   100_A    14.679     0    0.049   0.945    15.652    0.000    0.000
LGA    Q   101_A      Q   101_A    16.573     0    0.440   1.130    17.316    0.000    0.000
LGA    Y   102_A      Y   102_A    19.724     0    0.022   1.174    22.035    0.000    0.000
LGA    S   103_A      S   103_A    23.248     0    0.185   0.799    24.833    0.000    0.000
LGA    L   104_A      L   104_A    28.089     0    0.239   1.376    33.508    0.000    0.000
LGA    K   105_A      K   105_A    27.761     0    0.090   1.218    30.723    0.000    0.000
LGA    E   106_A      E   106_A    26.970     0    0.047   0.708    28.723    0.000    0.000
LGA    T   107_A      T   107_A    29.210     0    0.040   1.093    32.069    0.000    0.000
LGA    I   108_A      I   108_A    31.322     0    0.112   1.107    32.278    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     781    781  100.00               106
SUMMARY(RMSD_GDC):    14.335         14.381                 15.048           19.651   16.819

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92  106    4.0     26    1.84    24.764    22.305     1.342

LGA_LOCAL      RMSD:   1.838  Number of atoms:   26  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.730  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:  14.335  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.468704 * X  +  -0.864930 * Y  +   0.179478 * Z  + -43.857109
  Y_new =  -0.381996 * X  +  -0.381655 * Y  +  -0.841676 * Z  + -49.288097
  Z_new =   0.796490 * X  +   0.325937 * Y  +  -0.509283 * Z  +   3.259322 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.683824 -0.921467  2.572285   [DEG:  -39.1802  -52.7962  147.3811 ]
ZXZ:  0.210092  2.105148  1.182370   [DEG:   12.0374  120.6161   67.7448 ]
 
# END of job
