
#######################################################
#                                                     #
#                        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  101 (  823),  selected   97 , name one
# Molecule2: number of CA atoms   97 (  780),  selected   97 , 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:    42      53_A - 94_A        4.96    21.76
  LONGEST_CONTINUOUS_SEGMENT:    42      54_A - 95_A        4.90    21.73
  LCS_AVERAGE:     29.28

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      62_A - 92_A        1.94    21.41
  LONGEST_CONTINUOUS_SEGMENT:    31      63_A - 93_A        1.93    21.37
  LCS_AVERAGE:     16.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      65_A - 88_A        0.99    21.73
  LCS_AVERAGE:     10.86

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   97
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     E     4_A     E     4_A      4    7   11      3    4    4    4    5    7    7    8    9   11   12   12   13   23   25   27   28   30   31   33 
LCS_GDT     I     5_A     I     5_A      4    7   13      3    4    4    4    5    7    9   13   14   15   17   21   26   27   31   33   35   41   45   50 
LCS_GDT     K     6_A     K     6_A      4    7   14      3    4    4    4    5    7    8    9   10   11   12   16   26   27   31   35   41   46   52   54 
LCS_GDT     G     7_A     G     7_A      4    7   16      3    4    4    4    8    9   10   13   14   16   19   23   26   30   33   37   41   46   52   54 
LCS_GDT     Y     8_A     Y     8_A      4   10   16      3    5    5    7    9   11   14   17   19   21   21   23   26   30   33   37   41   46   52   54 
LCS_GDT     E     9_A     E     9_A      5   10   16      3    5    7    9   11   14   15   17   19   21   21   23   26   30   33   37   41   46   52   54 
LCS_GDT     Y    10_A     Y    10_A      5   10   16      3    5    6    9   11   14   15   17   19   21   21   23   26   30   33   37   41   46   52   54 
LCS_GDT     Q    11_A     Q    11_A      5   10   16      3    4    6    9   11   14   15   17   19   21   21   24   26   30   33   37   41   46   52   54 
LCS_GDT     L    12_A     L    12_A      6   10   16      4    4    7    9   11   14   15   17   19   21   21   23   26   30   33   37   41   46   52   54 
LCS_GDT     Y    13_A     Y    13_A      6   10   16      4    4    7    9   11   14   15   17   19   21   21   23   24   30   33   37   41   46   52   54 
LCS_GDT     V    14_A     V    14_A      6   10   16      4    4    7    9   11   14   15   17   19   21   21   23   26   30   33   37   41   46   52   54 
LCS_GDT     Y    15_A     Y    15_A      6   10   16      4    4    7    9   11   14   15   17   19   21   21   23   26   30   33   37   41   46   52   54 
LCS_GDT     A    16_A     A    16_A      6   10   16      3    5    7    9   11   14   15   17   19   21   21   23   26   30   33   37   41   46   52   54 
LCS_GDT     S    17_A     S    17_A      6   10   16      4    5    7    9   11   14   15   17   19   21   21   23   26   30   33   37   41   46   52   54 
LCS_GDT     D    18_A     D    18_A      5    8   16      4    5    5    6    7    9   10   10   11   17   21   23   26   30   33   37   41   46   52   54 
LCS_GDT     K    19_A     K    19_A      5    6   16      4    5    5    5    7    9   10   10   12   14   18   23   26   30   33   37   41   46   52   54 
LCS_GDT     L    20_A     L    20_A      5    5   16      4    5    5    5    6    7    8   10   12   14   15   18   23   30   33   36   40   46   52   54 
LCS_GDT     F    21_A     F    21_A      4    5   16      3    4    4    4    5    6    8    9   12   14   16   23   26   30   33   37   41   46   52   54 
LCS_GDT     R    22_A     R    22_A      4    5   16      3    4    4    4    5    7    8    9   10   12   15   20   23   26   32   36   41   46   52   54 
LCS_GDT     A    23_A     A    23_A      4    5   15      3    4    4    4    5    7    8    9   11   14   16   21   26   29   33   37   41   46   52   54 
LCS_GDT     D    24_A     D    24_A      4    5   15      3    4    4    4    5    7    8    9   10   12   15   20   26   27   31   35   38   46   52   54 
LCS_GDT     I    25_A     I    25_A      3    5   16      3    4    4    4    5    7    8    9   10   13   15   21   26   27   31   35   40   46   52   54 
LCS_GDT     S    26_A     S    26_A      3    4   19      1    4    4    4    7    8    8   10   12   14   17   21   26   27   31   35   41   46   52   54 
LCS_GDT     E    27_A     E    27_A      3    4   19      0    3    4    4    5    7    8   10   12   13   17   21   26   27   31   35   41   46   52   54 
LCS_GDT     D    28_A     D    28_A      5    5   19      4    5    5    5    5    6    7   10   12   13   17   21   26   27   31   33   35   41   45   52 
LCS_GDT     Y    29_A     Y    29_A      5    5   19      4    5    5    5    5    5    7    9   10   11   17   18   26   27   31   33   35   38   41   47 
LCS_GDT     K    30_A     K    30_A      5    5   19      4    5    5    5    5    6    8    9   10   11   12   21   26   27   31   33   35   41   48   54 
LCS_GDT     T    31_A     T    31_A      5    5   19      4    5    5    5    5    7    8   11   14   15   18   21   26   27   31   35   41   46   52   54 
LCS_GDT     R    32_A     R    32_A      5    7   19      4    5    5    7    7   10   11   12   14   15   19   22   26   27   31   37   41   46   52   54 
LCS_GDT     G    33_A     G    33_A      4   10   19      3    4    5    7    8   10   11   14   18   21   21   22   26   30   33   37   41   46   52   54 
LCS_GDT     R    34_A     R    34_A      4   10   19      3    4    6    7    8   10   15   17   19   21   21   23   26   30   33   37   41   46   52   54 
LCS_GDT     K    35_A     K    35_A      4   10   19      0    4    5    6    8   11   13   16   19   21   21   23   26   30   33   37   41   46   52   54 
LCS_GDT     L    36_A     L    36_A      4   10   19      1    4    5    9   11   14   15   17   19   21   21   23   26   30   33   37   40   46   52   54 
LCS_GDT     L    37_A     L    37_A      6   10   19      3    5    6    7    8   13   15   17   19   21   21   23   26   30   33   37   41   46   52   54 
LCS_GDT     R    38_A     R    38_A      6   10   19      3    5    6    8   11   14   15   17   19   21   21   23   24   30   33   37   41   46   52   54 
LCS_GDT     F    39_A     F    39_A      6   10   19      3    5    6    8    9   14   15   17   19   21   21   23   24   30   33   37   41   46   52   54 
LCS_GDT     N    40_A     N    40_A      6   10   19      3    5    6    8    9   14   15   17   19   21   28   31   32   33   33   37   41   46   52   54 
LCS_GDT     G    41_A     G    41_A      6   10   19      3    5    6    8    9   14   15   17   19   21   21   23   24   29   34   37   41   46   52   54 
LCS_GDT     P    42_A     P    42_A      6   10   19      3    5    6    7    8   13   15   17   19   21   21   22   24   27   31   37   41   46   52   54 
LCS_GDT     V    43_A     V    43_A      5    8   19      3    4    5   14   17   21   23   27   30   33   35   36   36   37   40   41   43   46   52   54 
LCS_GDT     P    44_A     P    44_A      5    8   19      3    4    5    9   12   16   16   19   21   25   29   32   35   39   40   41   43   46   52   54 
LCS_GDT     P    45_A     P    45_A      5    7   19      3    4    5    6    7    9   11   18   20   23   29   30   35   38   40   41   43   46   52   54 
LCS_GDT     P    46_A     P    46_A      5    7   19      3    4    5    5    6    7    9   10   11   13   14   15   17   18   28   32   35   43   46   49 
LCS_GDT     G    47_A     G    47_A      5    7   19      3    4    5    5    6    8    9   11   12   13   16   17   26   27   31   35   38   44   52   54 
LCS_GDT     G    48_A     G    48_A      5    7   19      3    4    5    5    6    8   10   11   12   15   17   22   26   30   33   37   41   46   52   54 
LCS_GDT     S    49_A     S    49_A      5    7   21      3    3    6    7    9   10   11   13   14   17   18   22   26   30   33   37   41   46   52   54 
LCS_GDT     G    50_A     G    50_A      5    7   21      3    3    5    6    6    8    9   13   14   17   18   21   24   25   28   34   39   44   51   54 
LCS_GDT     G    51_A     G    51_A      4    7   21      3    3    5    6    6    8    9   13   14   17   18   21   25   28   32   35   40   44   52   54 
LCS_GDT     G    52_A     G    52_A      4    7   21      3    3    5    7    9   10   12   18   19   19   22   27   29   34   36   40   42   46   52   54 
LCS_GDT     E    53_A     E    53_A      4    9   42      3    6   10   12   14   15   17   18   20   25   30   32   35   39   40   41   43   46   52   54 
LCS_GDT     W    54_A     W    54_A      4    9   42      3    7   10   12   14   15   18   22   27   31   35   36   37   39   40   41   43   46   52   54 
LCS_GDT     E    55_A     E    55_A      3    9   42      3    7   10   12   14   15   18   20   25   28   33   36   37   39   40   41   43   44   51   54 
LCS_GDT     I    56_A     I    56_A      4    9   42      3    5    7   10   14   15   18   20   25   28   33   36   37   38   40   41   42   44   46   49 
LCS_GDT     I    57_A     I    57_A      4    9   42      3    6   10   12   14   15   18   19   22   26   27   30   33   37   38   40   42   44   46   49 
LCS_GDT     D    58_A     D    58_A      4    9   42      3    4    5   11   14   15   18   19   21   24   27   30   32   37   38   40   41   43   46   49 
LCS_GDT     I    59_A     I    59_A      5    9   42      3    5   10   12   13   14   17   18   20   22   27   29   32   36   38   40   43   44   46   49 
LCS_GDT     G    60_A     G    60_A      5    9   42      3    5    5   11   14   15   17   18   19   21   26   29   31   32   35   38   43   44   46   49 
LCS_GDT     P    61_A     P    61_A      5    9   42      3    5    5   11   14   15   18   19   23   26   29   31   37   39   40   41   43   44   46   49 
LCS_GDT     F    62_A     F    62_A      9   31   42      4    8   13   18   24   27   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     T    63_A     T    63_A     21   31   42      4    9   16   23   26   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     Q    64_A     Q    64_A     23   31   42      6   18   21   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     N    65_A     N    65_A     24   31   42      5   13   21   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     L    66_A     L    66_A     24   31   42      5   18   22   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     G    67_A     G    67_A     24   31   42     10   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     K    68_A     K    68_A     24   31   42     12   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     F    69_A     F    69_A     24   31   42     12   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     A    70_A     A    70_A     24   31   42     12   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     V    71_A     V    71_A     24   31   42     12   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     D    72_A     D    72_A     24   31   42     12   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     E    73_A     E    73_A     24   31   42     12   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     E    74_A     E    74_A     24   31   42     12   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     N    75_A     N    75_A     24   31   42     12   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     K    76_A     K    76_A     24   31   42     12   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     I    77_A     I    77_A     24   31   42     12   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     G    78_A     G    78_A     24   31   42      3    9   22   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     Q    79_A     Q    79_A     24   31   42      3   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     Y    80_A     Y    80_A     24   31   42      3   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     G    81_A     G    81_A     24   31   42      4   17   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     R    82_A     R    82_A     24   31   42     12   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     L    83_A     L    83_A     24   31   42     12   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     T    84_A     T    84_A     24   31   42     11   18   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     F    85_A     F    85_A     24   31   42     11   17   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     N    86_A     N    86_A     24   31   42     11   17   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     K    87_A     K    87_A     24   31   42      6   17   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     V    88_A     V    88_A     24   31   42      6   17   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     I    89_A     I    89_A     23   31   42      5   12   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     R    90_A     R    90_A     23   31   42      5   12   23   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     P    91_A     P    91_A     11   31   42      5   11   15   25   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     C    92_A     C    92_A     10   31   42      5    9   13   16   28   30   32   32   32   33   35   36   37   39   40   41   43   44   46   49 
LCS_GDT     M    93_A     M    93_A     10   31   42      5    9   11   15   21   29   32   32   32   33   35   36   37   39   40   41   43   46   52   54 
LCS_GDT     K    94_A     K    94_A      6   14   42      5    7   10   12   14   16   22   27   31   33   35   36   37   39   40   41   43   46   52   54 
LCS_GDT     K    95_A     K    95_A      6    8   42      5    7   10   12   14   15   17   20   22   28   33   36   36   39   40   41   43   46   52   54 
LCS_GDT     T    96_A     T    96_A      6    8   37      5    7   10   12   14   15   17   18   19   19   24   27   30   34   36   40   42   46   52   54 
LCS_GDT     I    97_A     I    97_A      6    8   17      5    7   10   12   14   15   17   18   19   19   20   22   28   30   33   37   41   46   52   54 
LCS_GDT     Y    98_A     Y    98_A      6    8   14      5    7   10   12   14   15   17   18   19   19   20   22   26   30   33   37   41   46   52   54 
LCS_GDT     E    99_A     E    99_A      6    8   10      4    6   10   12   14   15   17   18   19   19   20   21   26   30   33   37   41   46   52   54 
LCS_GDT     N   100_A     N   100_A      6    8   10      3    4    6    8    9   11   11   18   19   19   20   21   24   29   33   37   41   46   52   54 
LCS_AVERAGE  LCS_A:  18.74  (  10.86   16.09   29.28 )

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     12     18     23     25     28     30     32     32     32     33     35     36     37     39     40     41     43     46     52     54 
GDT PERCENT_AT  12.37  18.56  23.71  25.77  28.87  30.93  32.99  32.99  32.99  34.02  36.08  37.11  38.14  40.21  41.24  42.27  44.33  47.42  53.61  55.67
GDT RMS_LOCAL    0.26   0.68   0.98   1.06   1.44   1.72   2.09   2.09   2.09   2.59   3.22   3.58   3.82   4.46   4.46   4.61   5.11   6.88   7.22   7.41
GDT RMS_ALL_AT  22.14  22.14  21.59  21.77  21.46  21.41  21.38  21.38  21.38  21.34  21.48  21.59  21.62  21.82  21.78  21.83  21.80  21.17  21.47  21.35

# Checking swapping
#   possible swapping detected:  Y     8_A      Y     8_A
#   possible swapping detected:  E     9_A      E     9_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  D    18_A      D    18_A
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  F    62_A      F    62_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  E    73_A      E    73_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A    38.411     4    0.050   0.067    39.188    0.000    0.000
LGA    I     5_A      I     5_A    36.058     0    0.071   1.238    37.048    0.000    0.000
LGA    K     6_A      K     6_A    33.703     0    0.630   1.015    35.195    0.000    0.000
LGA    G     7_A      G     7_A    31.528     0    0.093   0.093    31.596    0.000    0.000
LGA    Y     8_A      Y     8_A    26.558     0    0.179   1.256    28.885    0.000    0.000
LGA    E     9_A      E     9_A    23.996     0    0.134   1.260    28.280    0.000    0.000
LGA    Y    10_A      Y    10_A    19.338     0    0.026   1.298    21.447    0.000    0.000
LGA    Q    11_A      Q    11_A    14.771     0    0.076   0.938    15.871    0.000    0.159
LGA    L    12_A      L    12_A    18.105     0    0.072   1.063    23.496    0.000    0.000
LGA    Y    13_A      Y    13_A    17.504     0    0.162   0.369    20.360    0.000    0.000
LGA    V    14_A      V    14_A    20.535     0    0.060   1.286    22.457    0.000    0.000
LGA    Y    15_A      Y    15_A    23.278     0    0.250   1.048    26.713    0.000    0.000
LGA    A    16_A      A    16_A    26.912     0    0.131   0.135    27.082    0.000    0.000
LGA    S    17_A      S    17_A    29.638     0    0.573   0.844    31.656    0.000    0.000
LGA    D    18_A      D    18_A    25.673     0    0.472   1.094    27.081    0.000    0.000
LGA    K    19_A      K    19_A    22.978     0    0.510   1.023    28.503    0.000    0.000
LGA    L    20_A      L    20_A    18.838     0    0.608   1.436    20.080    0.000    0.000
LGA    F    21_A      F    21_A    14.216     0    0.584   1.537    16.201    0.000    0.000
LGA    R    22_A      R    22_A    14.586     0    0.070   1.305    18.546    0.000    0.000
LGA    A    23_A      A    23_A    17.405     0    0.634   0.583    19.596    0.000    0.000
LGA    D    24_A      D    24_A    22.507     0    0.653   0.640    26.366    0.000    0.000
LGA    I    25_A      I    25_A    28.135     0    0.273   0.268    31.968    0.000    0.000
LGA    S    26_A      S    26_A    30.099     0    0.610   0.787    33.110    0.000    0.000
LGA    E    27_A      E    27_A    36.324     0    0.621   0.592    40.653    0.000    0.000
LGA    D    28_A      D    28_A    39.257     0    0.599   0.746    41.764    0.000    0.000
LGA    Y    29_A      Y    29_A    37.239     0    0.050   1.149    39.646    0.000    0.000
LGA    K    30_A      K    30_A    42.388     0    0.029   1.329    47.863    0.000    0.000
LGA    T    31_A      T    31_A    46.205     0    0.139   1.069    47.500    0.000    0.000
LGA    R    32_A      R    32_A    41.922     0    0.128   1.301    47.022    0.000    0.000
LGA    G    33_A      G    33_A    40.688     0    0.637   0.637    41.143    0.000    0.000
LGA    R    34_A      R    34_A    34.077     0    0.060   2.209    36.814    0.000    0.000
LGA    K    35_A      K    35_A    32.301     0    0.625   1.128    38.160    0.000    0.000
LGA    L    36_A      L    36_A    26.690     0    0.212   1.221    28.801    0.000    0.000
LGA    L    37_A      L    37_A    22.431     0    0.614   1.337    23.649    0.000    0.000
LGA    R    38_A      R    38_A    16.773     0    0.062   1.182    21.239    0.000    0.000
LGA    F    39_A      F    39_A    12.860     0    0.030   0.265    15.639    0.000    0.000
LGA    N    40_A      N    40_A     8.886     0    0.105   0.620    11.520    1.905    1.131
LGA    G    41_A      G    41_A    10.418     0    0.063   0.063    12.233    0.357    0.357
LGA    P    42_A      P    42_A    14.230     0    0.645   0.579    17.965    0.000    0.000
LGA    V    43_A      V    43_A    10.643     0    0.308   1.253    14.648    0.000    2.449
LGA    P    44_A      P    44_A    17.174     0    0.174   0.297    18.202    0.000    0.000
LGA    P    45_A      P    45_A    21.333     0    0.125   0.121    23.120    0.000    0.000
LGA    P    46_A      P    46_A    25.324     0    0.644   0.578    28.677    0.000    0.000
LGA    G    47_A      G    47_A    28.527     0    0.059   0.059    28.527    0.000    0.000
LGA    G    48_A      G    48_A    30.048     0    0.575   0.575    31.983    0.000    0.000
LGA    S    49_A      S    49_A    32.650     0    0.160   0.626    37.476    0.000    0.000
LGA    G    50_A      G    50_A    30.650     0    0.633   0.633    31.513    0.000    0.000
LGA    G    51_A      G    51_A    27.904     0    0.072   0.072    29.622    0.000    0.000
LGA    G    52_A      G    52_A    24.915     0    0.189   0.189    25.883    0.000    0.000
LGA    E    53_A      E    53_A    19.478     0    0.300   1.110    22.060    0.000    0.000
LGA    W    54_A      W    54_A    13.239     0    0.073   0.147    15.402    0.000    0.000
LGA    E    55_A      E    55_A    13.177     0    0.186   1.613    17.444    0.119    0.053
LGA    I    56_A      I    56_A    10.893     0    0.150   0.555    12.881    0.000    1.071
LGA    I    57_A      I    57_A    11.955     0    0.115   1.061    13.506    1.190    0.595
LGA    D    58_A      D    58_A    10.792     0    0.215   0.639    12.484    0.000    0.000
LGA    I    59_A      I    59_A     9.956     0    0.501   0.504    10.265    0.476    0.952
LGA    G    60_A      G    60_A    12.211     0    0.062   0.062    12.211    0.714    0.714
LGA    P    61_A      P    61_A    10.796     0    0.622   0.638    14.909    1.429    0.816
LGA    F    62_A      F    62_A     4.553     0    0.400   0.275     6.731   36.310   33.593
LGA    T    63_A      T    63_A     2.740     0    0.052   0.088     3.591   65.357   62.109
LGA    Q    64_A      Q    64_A     1.762     0    0.080   1.325     4.073   75.119   69.947
LGA    N    65_A      N    65_A     1.064     0    0.078   0.193     3.200   88.333   75.833
LGA    L    66_A      L    66_A     1.044     0    0.065   0.964     5.327   85.952   67.857
LGA    G    67_A      G    67_A     0.676     0    0.084   0.084     0.862   90.476   90.476
LGA    K    68_A      K    68_A     0.745     0    0.022   0.582     2.838   85.952   76.349
LGA    F    69_A      F    69_A     2.073     0    0.063   0.512     7.513   68.929   41.472
LGA    A    70_A      A    70_A     2.001     0    0.059   0.059     2.027   70.833   69.619
LGA    V    71_A      V    71_A     0.675     0    0.019   0.081     1.098   88.214   91.905
LGA    D    72_A      D    72_A     1.635     0    0.036   0.102     2.487   75.000   70.893
LGA    E    73_A      E    73_A     2.427     0    0.039   0.591     4.623   64.762   53.810
LGA    E    74_A      E    74_A     1.515     0    0.068   0.352     1.903   77.143   76.667
LGA    N    75_A      N    75_A     0.902     0    0.074   0.318     1.154   85.952   84.821
LGA    K    76_A      K    76_A     1.790     0    0.034   0.685     2.218   72.857   72.963
LGA    I    77_A      I    77_A     1.316     0    0.569   1.168     4.270   75.357   66.786
LGA    G    78_A      G    78_A     1.316     0    0.104   0.104     1.448   81.429   81.429
LGA    Q    79_A      Q    79_A     2.239     0    0.033   0.621     6.009   64.881   45.344
LGA    Y    80_A      Y    80_A     2.618     0    0.665   1.262     4.620   57.500   63.413
LGA    G    81_A      G    81_A     2.608     0    0.132   0.132     2.659   59.048   59.048
LGA    R    82_A      R    82_A     2.347     0    0.060   0.881     6.455   62.857   51.948
LGA    L    83_A      L    83_A     1.973     0    0.044   1.110     3.164   70.833   66.964
LGA    T    84_A      T    84_A     1.602     0    0.080   0.130     2.465   77.143   74.150
LGA    F    85_A      F    85_A     0.676     0    0.036   0.203     1.402   90.476   87.186
LGA    N    86_A      N    86_A     0.917     0    0.030   0.347     1.912   92.857   85.000
LGA    K    87_A      K    87_A     0.823     0    0.108   0.915     9.478   90.476   57.937
LGA    V    88_A      V    88_A     0.795     0    0.092   0.237     1.656   83.810   88.027
LGA    I    89_A      I    89_A     2.339     0    0.057   0.072     4.093   68.810   57.798
LGA    R    90_A      R    90_A     2.677     0    0.053   1.265     8.825   47.262   29.567
LGA    P    91_A      P    91_A     2.590     0    0.095   0.322     5.363   53.810   45.374
LGA    C    92_A      C    92_A     2.530     0    0.391   0.822     5.507   48.690   50.317
LGA    M    93_A      M    93_A     4.321     0    0.099   1.211     6.384   30.357   41.310
LGA    K    94_A      K    94_A     9.964     0    0.157   0.611    19.109    1.310    0.582
LGA    K    95_A      K    95_A    15.059     0    0.054   0.689    22.400    0.000    0.000
LGA    T    96_A      T    96_A    21.247     0    0.055   0.859    24.812    0.000    0.000
LGA    I    97_A      I    97_A    26.851     0    0.245   1.042    29.705    0.000    0.000
LGA    Y    98_A      Y    98_A    32.954     0    0.193   1.219    34.873    0.000    0.000
LGA    E    99_A      E    99_A    39.398     0    0.109   1.024    45.584    0.000    0.000
LGA    N   100_A      N   100_A    41.059     0    0.460   1.279    43.481    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       97     388    388  100.00     780    780  100.00                97
SUMMARY(RMSD_GDC):    16.186         16.095                 16.991           23.652   21.637

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     32    2.09    29.897    27.399     1.463

LGA_LOCAL      RMSD:   2.087  Number of atoms:   32  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  21.383  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  16.186  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.683099 * X  +   0.493176 * Y  +   0.538659 * Z  +   9.562522
  Y_new =   0.596255 * X  +  -0.049303 * Y  +   0.801280 * Z  +   0.441139
  Z_new =   0.421730 * X  +   0.868531 * Y  +  -0.260379 * Z  +  17.630095 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.423972 -0.435352  1.862063   [DEG:  138.8833  -24.9438  106.6883 ]
ZXZ:  2.549736  1.834211  0.452034   [DEG:  146.0891  105.0926   25.8996 ]
 
# END of job
