
#######################################################
#                                                     #
#                        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:    45      10_A - 54_A        4.93    22.49
  LCS_AVERAGE:     34.32

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      11_A - 28_A        1.73    23.51
  LONGEST_CONTINUOUS_SEGMENT:    18      12_A - 29_A        1.84    23.78
  LCS_AVERAGE:     12.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      12_A - 26_A        0.87    22.93
  LONGEST_CONTINUOUS_SEGMENT:    15      13_A - 27_A        0.99    23.15
  LCS_AVERAGE:      8.08

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   12   23      4    4    6    8   10   12   14   15   17   19   24   25   26   28   31   33   36   37   38   39 
LCS_GDT     I     5_A     I     5_A      4   12   23      4    4    4    7   11   12   14   15   19   22   26   29   29   31   33   35   36   37   38   39 
LCS_GDT     K     6_A     K     6_A      6   12   23      4    4    6    9   11   12   14   14   17   19   20   24   25   26   28   31   33   37   38   38 
LCS_GDT     G     7_A     G     7_A      6   12   23      4    5    6    9   11   12   14   15   17   22   26   29   29   31   33   35   36   37   38   39 
LCS_GDT     Y     8_A     Y     8_A      6   12   23      4    5    6    9   11   12   14   16   23   28   29   31   32   34   34   35   36   37   39   41 
LCS_GDT     E     9_A     E     9_A      6   12   41      4    5    6    9   11   12   22   24   26   30   30   32   33   35   38   38   40   41   42   44 
LCS_GDT     Y    10_A     Y    10_A      6   17   45      4    8   12   16   20   24   28   31   31   32   34   36   38   39   40   41   44   46   47   49 
LCS_GDT     Q    11_A     Q    11_A      6   18   45      4    9   13   20   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     L    12_A     L    12_A     15   18   45     10   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     Y    13_A     Y    13_A     15   18   45      6   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     V    14_A     V    14_A     15   18   45      6   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     Y    15_A     Y    15_A     15   18   45     10   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     A    16_A     A    16_A     15   18   45     10   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     S    17_A     S    17_A     15   18   45     10   12   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     D    18_A     D    18_A     15   18   45      3   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     K    19_A     K    19_A     15   18   45     10   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     L    20_A     L    20_A     15   18   45     10   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   48   53   55 
LCS_GDT     F    21_A     F    21_A     15   18   45     10   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   53 
LCS_GDT     R    22_A     R    22_A     15   18   45     10   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     A    23_A     A    23_A     15   18   45     10   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     D    24_A     D    24_A     15   18   45     10   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     I    25_A     I    25_A     15   18   45     10   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     S    26_A     S    26_A     15   18   45      3   11   16   19   23   25   28   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     E    27_A     E    27_A     15   18   45      4    9   14   18   20   23   28   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     D    28_A     D    28_A      6   18   45      4    5    6   12   16   18   22   26   29   32   35   37   38   42   44   44   46   47   48   49 
LCS_GDT     Y    29_A     Y    29_A      6   18   45      4    5    6    9   15   18   21   23   29   30   32   35   37   42   44   44   46   47   48   49 
LCS_GDT     K    30_A     K    30_A      6    9   45      4    5    6    7   11   12   16   21   23   26   28   31   33   34   36   41   46   47   48   49 
LCS_GDT     T    31_A     T    31_A      6    9   45      4    5    6    7    8   18   21   23   26   29   32   34   37   42   44   44   46   47   48   49 
LCS_GDT     R    32_A     R    32_A      4    9   45      4   11   11   12   12   12   22   26   29   31   32   34   37   42   44   44   46   47   48   49 
LCS_GDT     G    33_A     G    33_A      5    9   45      3    4    5   19   23   25   28   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     R    34_A     R    34_A      5    9   45      3    4    5   17   23   25   28   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     K    35_A     K    35_A      5   13   45      3    6   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     L    36_A     L    36_A      5   13   45      3    4   19   22   25   27   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     L    37_A     L    37_A      5   13   45      3    4    5    9   13   24   28   30   32   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     R    38_A     R    38_A      5   13   45      3    8   17   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     F    39_A     F    39_A      4   13   45     10   14   19   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     N    40_A     N    40_A      8   13   45      3    6   12   20   25   28   29   31   34   35   36   37   38   42   44   44   46   47   48   49 
LCS_GDT     G    41_A     G    41_A      8   13   45      1    6   13   22   25   28   29   31   34   35   36   37   38   42   44   44   46   47   50   53 
LCS_GDT     P    42_A     P    42_A      8   13   45      4   14   19   22   25   28   29   31   34   35   36   37   38   42   44   49   51   55   56   57 
LCS_GDT     V    43_A     V    43_A      8   13   45     10   14   19   22   25   28   29   31   34   35   36   37   41   45   48   51   55   56   56   58 
LCS_GDT     P    44_A     P    44_A      8   13   45      4    9   15   22   25   28   29   31   34   35   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     P    45_A     P    45_A      8   13   45      4    8   13   18   25   28   29   31   34   35   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     P    46_A     P    46_A      8   13   45      3    8   12   16   23   28   29   31   34   35   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     G    47_A     G    47_A      8   13   45      3    8   12   16   21   28   29   31   34   35   36   37   39   43   47   50   52   56   56   58 
LCS_GDT     G    48_A     G    48_A      6   12   45      3    6   11   17   24   28   29   31   34   35   36   37   38   42   44   48   50   52   55   58 
LCS_GDT     S    49_A     S    49_A      6   12   45      3    4   10   15   17   26   27   30   31   34   36   37   38   42   44   48   50   52   56   58 
LCS_GDT     G    50_A     G    50_A      6   12   45      3    6    9   11   12   14   17   22   26   31   36   41   43   46   49   51   55   56   56   58 
LCS_GDT     G    51_A     G    51_A      6   12   45      3    6    9   12   14   16   22   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     G    52_A     G    52_A      6   12   45      3    7   10   12   20   23   27   30   31   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     E    53_A     E    53_A      7   12   45      4    7   10   14   20   26   29   31   34   35   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     W    54_A     W    54_A      7   12   45      4    7   10   12   20   28   29   31   34   35   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     E    55_A     E    55_A      7   12   24      3    7   10   12   16   17   22   23   30   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     I    56_A     I    56_A      7   12   24      4    7   10   12   16   17   22   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     I    57_A     I    57_A      7   12   24      4    7   10   12   16   17   22   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     D    58_A     D    58_A      7   12   24      3    7   10   11   16   17   22   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     I    59_A     I    59_A      7   10   24      3    7   10   12   16   17   22   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     G    60_A     G    60_A      6   10   24      3    5    8   10   12   16   20   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     P    61_A     P    61_A      7    9   24      3    4    7    8   11   14   18   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     F    62_A     F    62_A      7    9   24      3    6    7    8   11   14   18   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     T    63_A     T    63_A      7    8   24      3    6    7    8   11   14   18   20   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     Q    64_A     Q    64_A      7    8   24      3    6    7    8   11   14   17   20   27   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     N    65_A     N    65_A      7    8   24      3    6    7    8   11   14   17   20   25   32   36   40   43   46   49   51   55   56   56   58 
LCS_GDT     L    66_A     L    66_A      7    8   24      3    6    7    8   11   14   18   20   25   30   36   40   43   46   49   51   55   56   56   58 
LCS_GDT     G    67_A     G    67_A      7    8   24      3    6    7    7    9   11   13   17   20   23   27   36   41   45   47   51   55   56   56   58 
LCS_GDT     K    68_A     K    68_A      3    7   24      3    3    3    4    8   14   17   20   27   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     F    69_A     F    69_A      3    4   24      3    3    4    6    9   14   17   20   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     A    70_A     A    70_A      3    3   24      3    3    4    4    5    6    9   16   21   26   32   36   41   46   49   51   55   56   56   58 
LCS_GDT     V    71_A     V    71_A      3    3   24      3    3    4    4    5   10   15   21   27   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     D    72_A     D    72_A      5    5   24      3    3    5    5    5   11   17   22   26   31   36   41   43   46   49   51   55   56   56   58 
LCS_GDT     E    73_A     E    73_A      5    5   24      4    4    5    5    5    6    7    7    9   15   24   34   42   46   49   51   55   56   56   58 
LCS_GDT     E    74_A     E    74_A      5    5   24      4    4    5    5    5    5    6    9   11   13   19   23   25   37   48   51   55   56   56   58 
LCS_GDT     N    75_A     N    75_A      5    5   24      4    4    9   12   14   16   22   22   25   29   31   37   43   46   49   51   55   56   56   58 
LCS_GDT     K    76_A     K    76_A      5    5   20      4    4    5    5    5   15   17   22   27   31   36   41   43   46   49   51   55   56   56   58 
LCS_GDT     I    77_A     I    77_A      3    6   22      3    3    6   10   11   14   19   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     G    78_A     G    78_A      4    6   22      3    4    5    6   11   14   19   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     Q    79_A     Q    79_A      4    6   22      3    4    5    6   10   14   18   20   24   30   32   40   42   45   48   51   55   56   56   58 
LCS_GDT     Y    80_A     Y    80_A      4    6   22      3    4    6    8   11   14   17   20   24   29   32   36   41   45   47   51   55   56   56   58 
LCS_GDT     G    81_A     G    81_A      4    8   22      3    4    7    8   11   14   18   22   27   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     R    82_A     R    82_A      4    8   22      3    3    5    8   11   14   17   21   27   31   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     L    83_A     L    83_A      5    8   22      1    5    7   10   12   14   19   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     T    84_A     T    84_A      5    8   22      1    4    5    8   11   14   18   23   28   32   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     F    85_A     F    85_A      5    8   22      1    4    5    8   11   14   18   21   27   31   37   40   43   46   49   51   55   56   56   58 
LCS_GDT     N    86_A     N    86_A      5    8   22      3    5    5    8    9   10   18   19   24   30   34   40   43   46   48   51   55   56   56   58 
LCS_GDT     K    87_A     K    87_A      5    8   22      3    5    5    8    9   10   18   19   24   28   34   40   43   46   49   51   55   56   56   58 
LCS_GDT     V    88_A     V    88_A      5    8   22      3    5    5    6    8   10   18   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     I    89_A     I    89_A      5   12   22      3    5    6    9   16   17   22   22   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     R    90_A     R    90_A     11   12   22      3   11   11   12   16   17   22   22   27   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     P    91_A     P    91_A     11   12   22      4   11   11   12   12   12   19   19   22   27   30   36   41   46   49   51   55   56   56   58 
LCS_GDT     C    92_A     C    92_A     11   12   22      4   11   11   12   16   17   22   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     M    93_A     M    93_A     11   12   22      4   11   11   12   13   14   19   22   27   33   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     K    94_A     K    94_A     11   12   22      4   11   11   12   16   17   22   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     K    95_A     K    95_A     11   12   22      5   11   11   12   16   17   22   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     T    96_A     T    96_A     11   12   22      5   11   11   12   16   17   22   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     I    97_A     I    97_A     11   12   22      5   11   11   12   15   17   22   23   29   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     Y    98_A     Y    98_A     11   12   22      5   11   11   12   16   17   22   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_GDT     E    99_A     E    99_A     11   12   20      5   11   11   12   15   17   22   22   25   31   35   41   43   46   49   51   55   56   56   58 
LCS_GDT     N   100_A     N   100_A     11   12   20      4    4   11   12   16   17   22   23   28   34   37   41   43   46   49   51   55   56   56   58 
LCS_AVERAGE  LCS_A:  18.13  (   8.08   12.00   34.32 )

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     10     14     19     22     25     28     29     31     34     35     37     41     43     46     49     51     55     56     56     58 
GDT PERCENT_AT  10.31  14.43  19.59  22.68  25.77  28.87  29.90  31.96  35.05  36.08  38.14  42.27  44.33  47.42  50.52  52.58  56.70  57.73  57.73  59.79
GDT RMS_LOCAL    0.29   0.53   0.96   1.13   1.46   1.92   1.95   2.19   2.60   2.71   3.87   4.25   4.32   4.54   4.89   5.06   5.44   5.55   5.55   5.83
GDT RMS_ALL_AT  22.80  22.76  22.41  22.32  22.41  22.42  22.36  22.39  22.32  22.25  21.99  21.95  21.92  22.13  21.85  21.80  21.64  21.72  21.72  21.86

# Checking swapping
#   possible swapping detected:  E     9_A      E     9_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  D    28_A      D    28_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  Y    80_A      Y    80_A
#   possible swapping detected:  F    85_A      F    85_A
#   possible swapping detected:  E    99_A      E    99_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A    21.358     4    0.190   0.237    23.648    0.000    0.000
LGA    I     5_A      I     5_A    17.306     0    0.142   0.152    20.043    0.000    0.000
LGA    K     6_A      K     6_A    19.834     0    0.577   1.259    28.439    0.000    0.000
LGA    G     7_A      G     7_A    15.650     0    0.220   0.220    16.913    0.000    0.000
LGA    Y     8_A      Y     8_A    11.242     0    0.125   0.121    13.593    0.000    0.000
LGA    E     9_A      E     9_A     8.398     0    0.102   0.897     9.881    8.214    4.656
LGA    Y    10_A      Y    10_A     4.496     0    0.092   0.126     8.149   35.238   24.365
LGA    Q    11_A      Q    11_A     1.653     0    0.041   1.103     3.291   77.738   68.942
LGA    L    12_A      L    12_A     1.845     0    0.040   0.885     3.573   75.000   64.345
LGA    Y    13_A      Y    13_A     2.466     0    0.148   0.189     3.514   57.500   64.405
LGA    V    14_A      V    14_A     1.941     0    0.022   1.116     3.037   79.405   69.932
LGA    Y    15_A      Y    15_A     1.110     0    0.061   0.054     3.884   83.690   66.230
LGA    A    16_A      A    16_A     0.972     0    0.136   0.145     1.811   90.476   86.952
LGA    S    17_A      S    17_A     1.835     0    0.603   0.744     4.777   66.310   58.968
LGA    D    18_A      D    18_A     1.735     0    0.067   0.926     4.856   70.833   56.786
LGA    K    19_A      K    19_A     1.540     0    0.076   0.749     3.309   81.548   72.381
LGA    L    20_A      L    20_A     1.443     0    0.033   0.093     2.671   79.286   73.095
LGA    F    21_A      F    21_A     0.585     0    0.073   0.141     1.511   90.476   87.273
LGA    R    22_A      R    22_A     0.538     0    0.029   0.341     1.974   95.238   86.580
LGA    A    23_A      A    23_A     0.591     0    0.007   0.033     0.908   92.857   92.381
LGA    D    24_A      D    24_A     1.125     0    0.075   0.132     1.358   83.690   82.560
LGA    I    25_A      I    25_A     2.021     0    0.094   0.136     3.810   57.738   60.357
LGA    S    26_A      S    26_A     5.259     0    0.043   0.574     7.913   27.738   23.254
LGA    E    27_A      E    27_A     7.641     0    0.157   0.559    10.588    5.238    4.497
LGA    D    28_A      D    28_A    12.303     0    0.168   0.823    15.736    0.000    0.000
LGA    Y    29_A      Y    29_A    16.007     0    0.065   1.341    27.581    0.000    0.000
LGA    K    30_A      K    30_A    19.617     0    0.114   0.672    24.796    0.000    0.000
LGA    T    31_A      T    31_A    16.091     0    0.157   0.148    16.812    0.000    0.000
LGA    R    32_A      R    32_A    14.878     0    0.171   1.115    28.261    0.000    0.000
LGA    G    33_A      G    33_A     7.455     0    0.622   0.622    10.132    8.333    8.333
LGA    R    34_A      R    34_A     6.801     0    0.042   0.243    18.480   22.976    8.788
LGA    K    35_A      K    35_A     2.368     0    0.061   0.872    10.113   43.333   30.317
LGA    L    36_A      L    36_A     2.809     0    0.123   1.375     8.149   64.881   43.274
LGA    L    37_A      L    37_A     5.101     0    0.606   0.481    10.744   31.667   17.679
LGA    R    38_A      R    38_A     1.930     0    0.149   1.158     6.581   75.476   51.991
LGA    F    39_A      F    39_A     0.974     0    0.036   1.263     2.631   81.548   77.013
LGA    N    40_A      N    40_A     2.595     0    0.609   0.552     4.195   56.071   50.655
LGA    G    41_A      G    41_A     2.053     0    0.061   0.061     5.058   51.429   51.429
LGA    P    42_A      P    42_A     2.054     0    0.059   0.431     3.480   60.952   59.524
LGA    V    43_A      V    43_A     2.160     0    0.051   0.176     3.196   72.976   66.259
LGA    P    44_A      P    44_A     1.310     0    0.023   0.197     2.423   72.976   71.769
LGA    P    45_A      P    45_A     2.145     0    0.040   0.053     2.479   66.786   69.456
LGA    P    46_A      P    46_A     2.825     0    0.120   0.401     4.093   57.143   54.286
LGA    G    47_A      G    47_A     3.599     0    0.618   0.618     3.599   52.024   52.024
LGA    G    48_A      G    48_A     2.145     0    0.563   0.563     6.192   47.976   47.976
LGA    S    49_A      S    49_A     7.287     0    0.317   0.617     9.345   11.429    8.889
LGA    G    50_A      G    50_A    11.718     0    0.333   0.333    11.718    0.000    0.000
LGA    G    51_A      G    51_A    12.366     0    0.668   0.668    12.366    0.000    0.000
LGA    G    52_A      G    52_A     8.551     0    0.160   0.160     9.798    8.452    8.452
LGA    E    53_A      E    53_A     3.623     0    0.052   0.843     5.577   44.167   37.460
LGA    W    54_A      W    54_A     3.222     0    0.044   1.351     7.861   37.619   37.721
LGA    E    55_A      E    55_A     8.775     0    0.102   1.316    10.335    4.048    2.804
LGA    I    56_A      I    56_A    14.113     0    0.095   0.634    17.598    0.000    0.000
LGA    I    57_A      I    57_A    19.153     0    0.182   1.132    21.195    0.000    0.000
LGA    D    58_A      D    58_A    25.840     0    0.190   1.185    30.867    0.000    0.000
LGA    I    59_A      I    59_A    28.126     0    0.175   0.199    32.172    0.000    0.000
LGA    G    60_A      G    60_A    35.402     0    0.105   0.105    36.793    0.000    0.000
LGA    P    61_A      P    61_A    40.983     0    0.182   0.424    43.580    0.000    0.000
LGA    F    62_A      F    62_A    37.694     0    0.087   0.692    38.409    0.000    0.000
LGA    T    63_A      T    63_A    34.989     0    0.066   1.003    36.793    0.000    0.000
LGA    Q    64_A      Q    64_A    40.513     0    0.032   0.822    43.200    0.000    0.000
LGA    N    65_A      N    65_A    42.528     0    0.093   0.172    47.491    0.000    0.000
LGA    L    66_A      L    66_A    36.993     0    0.437   0.470    38.639    0.000    0.000
LGA    G    67_A      G    67_A    38.130     0    0.603   0.603    38.556    0.000    0.000
LGA    K    68_A      K    68_A    41.084     0    0.509   1.261    51.722    0.000    0.000
LGA    F    69_A      F    69_A    38.489     0    0.602   1.415    39.234    0.000    0.000
LGA    A    70_A      A    70_A    35.398     0    0.620   0.606    36.537    0.000    0.000
LGA    V    71_A      V    71_A    32.153     0    0.637   0.634    34.172    0.000    0.000
LGA    D    72_A      D    72_A    34.790     0    0.595   0.787    36.030    0.000    0.000
LGA    E    73_A      E    73_A    34.760     0    0.122   1.176    42.409    0.000    0.000
LGA    E    74_A      E    74_A    28.541     0    0.057   1.389    30.600    0.000    0.000
LGA    N    75_A      N    75_A    27.677     0    0.206   0.400    29.101    0.000    0.000
LGA    K    76_A      K    76_A    32.009     0    0.347   0.400    36.246    0.000    0.000
LGA    I    77_A      I    77_A    30.313     0    0.564   0.550    31.999    0.000    0.000
LGA    G    78_A      G    78_A    32.360     0    0.399   0.399    32.360    0.000    0.000
LGA    Q    79_A      Q    79_A    32.056     0    0.583   1.063    32.104    0.000    0.000
LGA    Y    80_A      Y    80_A    33.383     0    0.119   1.393    35.449    0.000    0.000
LGA    G    81_A      G    81_A    35.422     0    0.348   0.348    36.842    0.000    0.000
LGA    R    82_A      R    82_A    40.577     0    0.110   1.090    52.382    0.000    0.000
LGA    L    83_A      L    83_A    36.667     0    0.184   0.259    40.067    0.000    0.000
LGA    T    84_A      T    84_A    42.043     0    0.111   0.195    46.274    0.000    0.000
LGA    F    85_A      F    85_A    39.679     0    0.174   1.275    43.311    0.000    0.000
LGA    N    86_A      N    86_A    42.603     0    0.332   1.093    44.596    0.000    0.000
LGA    K    87_A      K    87_A    39.247     0    0.084   0.858    40.832    0.000    0.000
LGA    V    88_A      V    88_A    35.001     0    0.084   0.097    37.241    0.000    0.000
LGA    I    89_A      I    89_A    29.546     0    0.172   1.086    31.411    0.000    0.000
LGA    R    90_A      R    90_A    25.340     0    0.174   0.941    36.452    0.000    0.000
LGA    P    91_A      P    91_A    19.656     0    0.052   0.096    20.994    0.000    0.000
LGA    C    92_A      C    92_A    18.293     0    0.046   0.795    21.491    0.000    0.000
LGA    M    93_A      M    93_A    13.311     0    0.026   0.351    15.254    0.000    0.000
LGA    K    94_A      K    94_A    11.593     0    0.014   0.205    14.407    0.000    0.000
LGA    K    95_A      K    95_A     9.956     0    0.071   0.586    14.619    0.238    0.106
LGA    T    96_A      T    96_A    11.135     0    0.012   0.102    13.011    0.000    0.000
LGA    I    97_A      I    97_A    12.977     0    0.025   0.385    14.579    0.000    0.000
LGA    Y    98_A      Y    98_A    17.206     0    0.109   0.163    19.441    0.000    0.000
LGA    E    99_A      E    99_A    19.942     0    0.032   1.022    21.688    0.000    0.000
LGA    N   100_A      N   100_A    25.686     0    0.299   0.501    27.265    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):    17.102         17.045                 17.900           22.997   20.661

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     31    2.19    30.412    26.453     1.353

LGA_LOCAL      RMSD:   2.192  Number of atoms:   31  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.394  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  17.102  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.224489 * X  +   0.974224 * Y  +   0.022194 * Z  +  20.026001
  Y_new =   0.949070 * X  +  -0.223746 * Y  +   0.221819 * Z  +  13.532097
  Z_new =   0.221067 * X  +  -0.028732 * Y  +  -0.974835 * Z  +  51.051846 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.338529 -0.222909 -3.112127   [DEG:   76.6921  -12.7717 -178.3118 ]
ZXZ:  3.041870  2.916777  1.700043   [DEG:  174.2863  167.1190   97.4053 ]
 
# END of job
