
#######################################################
#                                                     #
#                        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:    47       4_A - 50_A        4.96    24.75
  LCS_AVERAGE:     35.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29       4_A - 32_A        1.78    25.01
  LCS_AVERAGE:     17.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22       6_A - 27_A        0.95    25.17
  LONGEST_CONTINUOUS_SEGMENT:    22       7_A - 28_A        0.98    25.20
  LCS_AVERAGE:     10.34

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     10   29   47      7   11   14   22   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     I     5_A     I     5_A     13   29   47      7   11   19   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     K     6_A     K     6_A     22   29   47      7   16   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     G     7_A     G     7_A     22   29   47      7   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     Y     8_A     Y     8_A     22   29   47     10   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     E     9_A     E     9_A     22   29   47     11   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     Y    10_A     Y    10_A     22   29   47     11   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     Q    11_A     Q    11_A     22   29   47     11   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     L    12_A     L    12_A     22   29   47     11   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     Y    13_A     Y    13_A     22   29   47     10   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     V    14_A     V    14_A     22   29   47     11   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     Y    15_A     Y    15_A     22   29   47     11   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     A    16_A     A    16_A     22   29   47      6   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     S    17_A     S    17_A     22   29   47      3    5   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     D    18_A     D    18_A     22   29   47      3   13   20   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     K    19_A     K    19_A     22   29   47      7   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     L    20_A     L    20_A     22   29   47     11   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     F    21_A     F    21_A     22   29   47     11   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     R    22_A     R    22_A     22   29   47     11   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     A    23_A     A    23_A     22   29   47     11   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     D    24_A     D    24_A     22   29   47      7   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     I    25_A     I    25_A     22   29   47      7   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     S    26_A     S    26_A     22   29   47     11   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     E    27_A     E    27_A     22   29   47     10   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     D    28_A     D    28_A     22   29   47      5   16   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     Y    29_A     Y    29_A      7   29   47      4    6   19   24   29   33   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     K    30_A     K    30_A      7   29   47      4    6    9   14   15   24   29   33   36   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     T    31_A     T    31_A      7   29   47      4    6   19   22   26   29   31   35   37   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     R    32_A     R    32_A      5   29   47      3    4    7    9   12   17   28   35   37   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     G    33_A     G    33_A      6    9   47      3    5    6   22   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     R    34_A     R    34_A      6    9   47      3    5    6    9   25   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     K    35_A     K    35_A      6   10   47      3    5   17   24   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     L    36_A     L    36_A      6   10   47      3    5   14   22   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     L    37_A     L    37_A      6   10   47      3    5    6   14   17   27   30   36   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     R    38_A     R    38_A      6   10   47      3   17   20   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     F    39_A     F    39_A      5   10   47      6   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     N    40_A     N    40_A      5   10   47      3   12   20   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     G    41_A     G    41_A      5   10   47      1    5   17   24   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     P    42_A     P    42_A      5   10   47      3   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     V    43_A     V    43_A      5   10   47      4   17   21   25   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     P    44_A     P    44_A      5   10   47      4    6   12   21   28   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     P    45_A     P    45_A      5    9   47      4    5    7   13   16   24   29   32   38   39   40   42   43   44   45   45   46   46   46   46 
LCS_GDT     P    46_A     P    46_A      5    9   47      4    5    7   10   13   19   21   29   33   39   39   41   43   44   45   45   46   46   46   46 
LCS_GDT     G    47_A     G    47_A      5    9   47      3    3    4    9   14   17   22   30   34   39   40   41   43   44   45   45   46   46   46   46 
LCS_GDT     G    48_A     G    48_A      3    5   47      3    3    4    4    6   13   18   22   31   38   39   40   43   44   45   45   46   46   46   46 
LCS_GDT     S    49_A     S    49_A      3   11   47      3    3    4    4    5    8   11   11   15   17   21   30   37   40   41   44   46   46   46   46 
LCS_GDT     G    50_A     G    50_A      8   11   47      2    6    9   10   11   11   12   13   15   15   18   21   21   22   25   31   35   38   43   45 
LCS_GDT     G    51_A     G    51_A      8   11   22      2    6    9   10   11   11   12   13   15   16   18   21   23   25   27   31   35   36   39   44 
LCS_GDT     G    52_A     G    52_A      8   11   22      3    6    9   10   11   11   15   15   16   18   19   22   23   25   27   29   33   36   39   41 
LCS_GDT     E    53_A     E    53_A      8   11   22      3    6    9   10   11   12   15   15   16   18   19   22   23   25   27   29   33   37   39   41 
LCS_GDT     W    54_A     W    54_A      8   11   23      3    6    9   10   11   12   15   15   16   18   19   22   23   25   27   31   35   37   39   44 
LCS_GDT     E    55_A     E    55_A      8   11   23      4    6    9   10   11   12   15   15   16   18   19   22   23   25   27   29   33   37   39   41 
LCS_GDT     I    56_A     I    56_A      8   11   23      4    6    9   10   11   12   15   15   16   18   19   22   23   25   27   29   33   37   39   41 
LCS_GDT     I    57_A     I    57_A      8   11   23      4    6    9   10   11   12   15   15   16   18   19   22   23   25   26   29   33   37   39   41 
LCS_GDT     D    58_A     D    58_A      8   11   23      4    6    9   10   11   12   15   15   16   18   19   22   23   25   26   29   33   37   39   41 
LCS_GDT     I    59_A     I    59_A      8   11   23      4    6    9   10   11   11   13   14   16   18   19   22   23   25   26   28   33   37   39   41 
LCS_GDT     G    60_A     G    60_A      6   11   23      3    5    7   10   11   11   12   13   16   18   19   22   23   25   26   28   33   37   39   41 
LCS_GDT     P    61_A     P    61_A      4   11   23      3    4    7    7   10   10   11   12   15   15   18   19   22   23   26   28   33   37   39   41 
LCS_GDT     F    62_A     F    62_A      4   10   23      3    4    5    6    8    9   11   12   15   19   20   20   22   23   29   31   34   37   39   41 
LCS_GDT     T    63_A     T    63_A      3    4   23      3    3    5    5    8    8   10   11   14   15   18   18   21   23   26   31   34   37   39   41 
LCS_GDT     Q    64_A     Q    64_A      3    6   23      3    3    3    4    8    8   10   12   14   16   18   21   23   28   30   32   35   37   39   41 
LCS_GDT     N    65_A     N    65_A      5    6   23      4    5    9   12   12   14   17   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     L    66_A     L    66_A      5    6   23      4    6   10   12   12   14   17   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     G    67_A     G    67_A      5    6   23      4    5    5   12   12   14   16   17   18   20   22   25   25   28   30   32   35   37   39   41 
LCS_GDT     K    68_A     K    68_A      5    6   23      4    5   10   12   12   14   16   17   19   23   24   25   25   28   30   32   35   37   39   41 
LCS_GDT     F    69_A     F    69_A      5    6   23      3    5    5    5   10   11   14   17   19   22   24   25   25   28   30   32   35   37   39   41 
LCS_GDT     A    70_A     A    70_A      3    4   23      3    3    5    6    9   11   12   13   17   20   22   24   25   27   29   32   35   37   39   41 
LCS_GDT     V    71_A     V    71_A      3    4   23      3    3    7    9   11   12   12   17   18   20   22   24   25   28   29   32   35   37   39   41 
LCS_GDT     D    72_A     D    72_A      5    5   23      4    4    5    7   11   11   12   13   15   17   19   22   24   27   29   31   33   37   39   41 
LCS_GDT     E    73_A     E    73_A      5    5   23      4    4    5    5    5    8   10   11   14   16   18   19   22   23   26   28   33   37   39   41 
LCS_GDT     E    74_A     E    74_A      5    5   23      4    4    5    5    5    8   10   13   14   18   19   22   23   25   26   28   33   37   39   41 
LCS_GDT     N    75_A     N    75_A      5    5   23      4    5    6    9   11   11   12   14   16   18   19   22   23   25   26   28   33   37   39   41 
LCS_GDT     K    76_A     K    76_A      5    5   23      3    4    5    5    8    8   10   12   14   15   18   19   22   23   26   28   33   37   39   41 
LCS_GDT     I    77_A     I    77_A      4    5   20      3    4    4    5    5    7   11   12   13   15   17   18   20   22   26   28   33   37   39   41 
LCS_GDT     G    78_A     G    78_A      4    5   23      3    4    4    5    5    5    7    8   15   17   20   22   24   27   29   31   33   35   37   38 
LCS_GDT     Q    79_A     Q    79_A      4    5   23      3    4    9   10   12   14   16   17   18   20   22   24   25   27   29   32   35   37   38   39 
LCS_GDT     Y    80_A     Y    80_A      4    5   23      3    4    4    5    5    7   11   13   16   19   20   23   25   28   30   32   35   37   38   39 
LCS_GDT     G    81_A     G    81_A      4   11   23      3    4    4    6    9   11   14   15   19   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     R    82_A     R    82_A      8   19   23      4    6    9   11   14   17   19   21   21   23   24   25   25   28   30   31   35   37   38   39 
LCS_GDT     L    83_A     L    83_A      8   19   23      4    6    9   13   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     T    84_A     T    84_A      8   19   23      4    7   10   14   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     F    85_A     F    85_A      8   19   23      4    7   10   14   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     N    86_A     N    86_A      8   19   23      3    5   10   14   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     K    87_A     K    87_A      8   19   23      4    6    9   12   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     V    88_A     V    88_A      8   19   23      3    6   10   14   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     I    89_A     I    89_A      8   19   23      3    7   10   14   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     R    90_A     R    90_A      5   19   23      3    4    5    8   10   17   19   21   21   23   24   25   25   28   30   32   35   37   38   43 
LCS_GDT     P    91_A     P    91_A      5   19   23      3    5   10   14   16   17   19   21   22   24   28   30   39   40   42   42   44   44   44   45 
LCS_GDT     C    92_A     C    92_A      9   19   23      4    8   10   12   12   17   19   21   23   31   34   37   39   40   42   42   44   44   44   44 
LCS_GDT     M    93_A     M    93_A      9   19   23      4    8   10   14   16   17   19   21   21   23   24   25   41   42   43   43   44   44   45   46 
LCS_GDT     K    94_A     K    94_A      9   19   23      4    8   10   14   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     K    95_A     K    95_A      9   19   23      4    8   10   14   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     T    96_A     T    96_A      9   19   23      4    8   10   14   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     I    97_A     I    97_A      9   19   23      4    8   10   14   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     Y    98_A     Y    98_A      9   19   23      4    8   10   14   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     E    99_A     E    99_A      9   19   23      4    8   10   14   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_GDT     N   100_A     N   100_A      9   19   23      3    8   10   14   16   17   19   21   21   23   24   25   25   28   30   32   35   37   38   39 
LCS_AVERAGE  LCS_A:  21.03  (  10.34   17.10   35.64 )

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     11     17     21     25     29     34     36     37     38     39     41     42     43     44     45     45     46     46     46     46 
GDT PERCENT_AT  11.34  17.53  21.65  25.77  29.90  35.05  37.11  38.14  39.18  40.21  42.27  43.30  44.33  45.36  46.39  46.39  47.42  47.42  47.42  47.42
GDT RMS_LOCAL    0.35   0.54   0.87   1.09   1.37   1.79   1.91   2.03   2.24   2.33   2.69   2.87   3.10   3.41   3.73   3.73   4.31   4.31   4.31   4.07
GDT RMS_ALL_AT  25.10  25.13  25.10  25.14  25.11  25.05  25.01  24.97  25.01  24.98  24.86  24.91  24.97  25.00  24.96  24.96  24.89  24.89  24.89  24.89

# 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:  Y    29_A      Y    29_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  F    62_A      F    62_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  D    72_A      D    72_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  F    85_A      F    85_A
#   possible swapping detected:  Y    98_A      Y    98_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A     2.980     4    0.082   0.110     4.193   60.952   31.217
LGA    I     5_A      I     5_A     1.576     0    0.023   0.055     2.114   70.833   77.262
LGA    K     6_A      K     6_A     1.465     0    0.088   0.903     4.136   77.143   71.799
LGA    G     7_A      G     7_A     0.715     0    0.035   0.035     0.794   92.857   92.857
LGA    Y     8_A      Y     8_A     0.879     0    0.004   0.058     1.163   85.952   88.214
LGA    E     9_A      E     9_A     1.421     0    0.062   0.260     2.518   77.143   71.217
LGA    Y    10_A      Y    10_A     1.624     0    0.016   0.067     1.765   72.857   77.857
LGA    Q    11_A      Q    11_A     1.932     0    0.044   0.717     4.665   70.833   63.810
LGA    L    12_A      L    12_A     1.399     0    0.033   0.775     2.738   81.429   78.393
LGA    Y    13_A      Y    13_A     1.486     0    0.076   0.115     2.985   77.143   69.008
LGA    V    14_A      V    14_A     1.284     0    0.052   1.209     3.124   83.690   77.007
LGA    Y    15_A      Y    15_A     1.156     0    0.016   0.071     1.968   77.143   82.262
LGA    A    16_A      A    16_A     1.981     0    0.137   0.160     2.705   75.000   71.429
LGA    S    17_A      S    17_A     1.809     0    0.607   0.615     2.873   68.929   65.000
LGA    D    18_A      D    18_A     2.431     0    0.028   1.016     6.458   66.905   48.690
LGA    K    19_A      K    19_A     1.211     0    0.033   0.769     4.136   83.810   70.423
LGA    L    20_A      L    20_A     0.660     0    0.029   0.054     1.024   90.476   89.345
LGA    F    21_A      F    21_A     0.756     0    0.032   0.128     1.126   90.476   90.519
LGA    R    22_A      R    22_A     1.215     0    0.043   0.552     3.189   81.429   69.567
LGA    A    23_A      A    23_A     1.045     0    0.075   0.102     1.357   81.429   83.238
LGA    D    24_A      D    24_A     1.660     0    0.050   0.180     2.254   75.000   70.893
LGA    I    25_A      I    25_A     1.630     0    0.012   0.090     1.822   77.143   76.071
LGA    S    26_A      S    26_A     1.285     0    0.021   0.620     2.619   85.952   78.968
LGA    E    27_A      E    27_A     0.436     0    0.045   0.515     3.631   92.857   81.429
LGA    D    28_A      D    28_A     2.708     0    0.027   0.628     5.209   54.286   42.262
LGA    Y    29_A      Y    29_A     4.311     0    0.096   1.360     6.833   30.476   34.960
LGA    K    30_A      K    30_A     7.638     0    0.105   0.715     9.903    7.381    4.868
LGA    T    31_A      T    31_A     6.988     0    0.146   0.144     7.889   14.286   16.122
LGA    R    32_A      R    32_A     6.643     0    0.115   1.098    18.860   20.833    7.835
LGA    G    33_A      G    33_A     2.233     0    0.640   0.640     2.791   60.952   60.952
LGA    R    34_A      R    34_A     3.256     0    0.023   0.303    15.732   53.810   22.641
LGA    K    35_A      K    35_A     3.416     0    0.029   0.878    14.768   51.905   25.979
LGA    L    36_A      L    36_A     2.871     0    0.100   1.413     8.503   47.143   30.000
LGA    L    37_A      L    37_A     4.755     0    0.603   1.408    10.174   40.476   23.155
LGA    R    38_A      R    38_A     2.383     0    0.082   0.761     5.595   66.905   48.571
LGA    F    39_A      F    39_A     1.117     0    0.110   1.033     2.891   73.214   70.346
LGA    N    40_A      N    40_A     2.560     0    0.107   0.410     4.510   67.024   54.643
LGA    G    41_A      G    41_A     2.463     0    0.022   0.022     4.075   57.857   57.857
LGA    P    42_A      P    42_A     1.440     0    0.020   0.298     3.049   75.119   67.619
LGA    V    43_A      V    43_A     0.351     0    0.117   1.166     4.214   86.190   79.252
LGA    P    44_A      P    44_A     3.597     0    0.047   0.110     4.200   47.143   50.816
LGA    P    45_A      P    45_A     6.529     0    0.047   0.184     7.824   16.548   13.946
LGA    P    46_A      P    46_A     8.135     0    0.058   0.186    10.757    3.333    2.449
LGA    G    47_A      G    47_A    11.268     0    0.671   0.671    11.710    0.119    0.119
LGA    G    48_A      G    48_A    13.477     0    0.527   0.527    15.116    0.000    0.000
LGA    S    49_A      S    49_A    19.520     0    0.142   0.565    22.301    0.000    0.000
LGA    G    50_A      G    50_A    22.605     0    0.114   0.114    23.136    0.000    0.000
LGA    G    51_A      G    51_A    26.194     0    0.219   0.219    28.847    0.000    0.000
LGA    G    52_A      G    52_A    27.392     0    0.040   0.040    27.392    0.000    0.000
LGA    E    53_A      E    53_A    28.788     0    0.031   0.664    36.224    0.000    0.000
LGA    W    54_A      W    54_A    24.186     0    0.041   0.061    26.965    0.000    0.000
LGA    E    55_A      E    55_A    26.925     0    0.080   1.061    32.465    0.000    0.000
LGA    I    56_A      I    56_A    25.144     0    0.044   0.637    29.578    0.000    0.000
LGA    I    57_A      I    57_A    29.624     0    0.127   1.100    32.119    0.000    0.000
LGA    D    58_A      D    58_A    31.572     0    0.201   1.196    33.746    0.000    0.000
LGA    I    59_A      I    59_A    32.493     0    0.190   0.214    35.524    0.000    0.000
LGA    G    60_A      G    60_A    38.120     0    0.015   0.015    38.374    0.000    0.000
LGA    P    61_A      P    61_A    41.277     0    0.633   0.746    44.616    0.000    0.000
LGA    F    62_A      F    62_A    38.788     0    0.591   1.436    39.324    0.000    0.000
LGA    T    63_A      T    63_A    37.642     0    0.618   1.364    38.141    0.000    0.000
LGA    Q    64_A      Q    64_A    37.289     0    0.151   0.904    38.966    0.000    0.000
LGA    N    65_A      N    65_A    39.972     0    0.601   0.472    45.887    0.000    0.000
LGA    L    66_A      L    66_A    33.788     0    0.067   0.073    35.696    0.000    0.000
LGA    G    67_A      G    67_A    34.541     0    0.123   0.123    37.027    0.000    0.000
LGA    K    68_A      K    68_A    40.694     0    0.585   1.248    51.244    0.000    0.000
LGA    F    69_A      F    69_A    39.222     0    0.591   1.450    40.559    0.000    0.000
LGA    A    70_A      A    70_A    39.482     0    0.506   0.474    39.645    0.000    0.000
LGA    V    71_A      V    71_A    39.911     0    0.615   0.682    43.455    0.000    0.000
LGA    D    72_A      D    72_A    46.326     0    0.600   1.304    50.764    0.000    0.000
LGA    E    73_A      E    73_A    43.701     0    0.050   0.819    45.438    0.000    0.000
LGA    E    74_A      E    74_A    43.856     0    0.037   1.332    46.378    0.000    0.000
LGA    N    75_A      N    75_A    44.829     0    0.136   0.218    49.350    0.000    0.000
LGA    K    76_A      K    76_A    42.365     0    0.338   0.361    43.276    0.000    0.000
LGA    I    77_A      I    77_A    38.991     0    0.598   0.615    40.988    0.000    0.000
LGA    G    78_A      G    78_A    39.091     0    0.630   0.630    39.091    0.000    0.000
LGA    Q    79_A      Q    79_A    35.639     0    0.641   1.036    37.113    0.000    0.000
LGA    Y    80_A      Y    80_A    34.002     0    0.458   0.707    34.448    0.000    0.000
LGA    G    81_A      G    81_A    37.207     0    0.158   0.158    38.059    0.000    0.000
LGA    R    82_A      R    82_A    37.831     0    0.598   1.095    44.462    0.000    0.000
LGA    L    83_A      L    83_A    34.807     0    0.036   0.092    38.455    0.000    0.000
LGA    T    84_A      T    84_A    38.845     0    0.046   0.136    42.700    0.000    0.000
LGA    F    85_A      F    85_A    36.248     0    0.049   1.401    39.990    0.000    0.000
LGA    N    86_A      N    86_A    37.891     0    0.197   1.051    39.156    0.000    0.000
LGA    K    87_A      K    87_A    33.980     0    0.095   0.691    35.675    0.000    0.000
LGA    V    88_A      V    88_A    28.149     0    0.049   0.061    30.750    0.000    0.000
LGA    I    89_A      I    89_A    24.111     0    0.156   1.099    24.987    0.000    0.000
LGA    R    90_A      R    90_A    19.413     0    0.184   1.007    29.082    0.000    0.000
LGA    P    91_A      P    91_A    13.459     0    0.007   0.198    14.824    0.000    0.000
LGA    C    92_A      C    92_A    14.407     0    0.309   0.330    18.512    0.000    0.000
LGA    M    93_A      M    93_A     9.754     0    0.067   0.768    13.521    0.119   13.690
LGA    K    94_A      K    94_A    15.331     0    0.015   0.079    25.129    0.000    0.000
LGA    K    95_A      K    95_A    17.817     0    0.039   0.940    22.216    0.000    0.000
LGA    T    96_A      T    96_A    23.965     0    0.038   0.103    26.660    0.000    0.000
LGA    I    97_A      I    97_A    29.910     0    0.034   0.361    33.433    0.000    0.000
LGA    Y    98_A      Y    98_A    34.813     0    0.034   1.208    37.354    0.000    0.000
LGA    E    99_A      E    99_A    42.180     0    0.035   1.013    50.388    0.000    0.000
LGA    N   100_A      N   100_A    45.029     0    0.236   0.373    49.289    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):    15.259         15.258                 15.963           28.582   25.820

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     37    2.03    31.959    29.800     1.741

LGA_LOCAL      RMSD:   2.026  Number of atoms:   37  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.973  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  15.259  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.733704 * X  +  -0.383851 * Y  +  -0.560658 * Z  +  20.295153
  Y_new =   0.099262 * X  +   0.755737 * Y  +  -0.647309 * Z  +  15.639657
  Z_new =   0.672180 * X  +  -0.530585 * Y  +  -0.516385 * Z  +  47.703682 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.007120 -0.737149 -2.342632   [DEG:  172.2953  -42.2355 -134.2229 ]
ZXZ: -0.713787  2.113421  2.239010   [DEG:  -40.8970  121.0901  128.2858 ]
 
# END of job
