
#######################################################
#                                                     #
#                        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  102 (  801),  selected  102 , name one
# Molecule2: number of CA atoms  151 ( 1194),  selected  102 , 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:    39      39_A - 77_A        4.93    20.69
  LONGEST_CONTINUOUS_SEGMENT:    39      40_A - 78_A        4.74    20.53
  LCS_AVERAGE:     23.24

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24     114_A - 137_A       1.36    31.01
  LCS_AVERAGE:     10.36

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23     115_A - 137_A       0.78    31.28
  LCS_AVERAGE:      7.74

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  102
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     F    36_A     F    36_A     13   15   19     11   12   12   14   15   15   15   15   17   20   22   24   26   28   33   39   44   46   49   50 
LCS_GDT     Q    37_A     Q    37_A     13   15   19     11   12   12   14   15   15   15   15   17   20   24   28   30   33   37   42   44   46   49   50 
LCS_GDT     R    38_A     R    38_A     13   15   19     11   12   12   14   15   15   15   15   17   20   22   24   25   26   28   32   35   36   45   48 
LCS_GDT     L    39_A     L    39_A     13   15   39     11   12   12   14   15   15   15   15   15   19   21   23   24   26   28   31   40   45   49   50 
LCS_GDT     D    40_A     D    40_A     13   15   39     11   12   12   14   15   15   18   21   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     R    41_A     R    41_A     13   15   39     11   12   12   14   15   15   15   16   22   27   29   34   36   38   40   42   44   46   49   50 
LCS_GDT     F    42_A     F    42_A     13   15   39     11   12   12   14   15   15   15   15   15   17   24   29   31   38   39   42   44   46   49   50 
LCS_GDT     V    43_A     V    43_A     13   15   39     11   12   12   14   15   15   15   22   25   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     T    44_A     T    44_A     13   15   39     11   12   12   14   15   15   16   22   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     D    45_A     D    45_A     13   15   39     11   12   12   14   15   15   17   22   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     A    46_A     A    46_A     13   15   39     11   12   12   14   15   15   17   22   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     I    47_A     I    47_A     13   15   39      4   12   12   14   19   22   23   23   24   28   31   32   35   36   40   42   44   45   48   50 
LCS_GDT     I    48_A     I    48_A     13   15   39      4    5    9   14   15   15   15   15   15   16   21   32   34   37   40   42   44   46   49   50 
LCS_GDT     E    49_A     E    49_A      5   15   39      4    5    6   12   15   15   19   22   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     G    50_A     G    50_A      6   21   39      4    6    8   15   19   22   23   23   26   29   31   34   35   37   40   42   44   46   49   50 
LCS_GDT     N    51_A     N    51_A      6   21   39      3    6   11   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     P    52_A     P    52_A      6   21   39      3    8   13   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     E    53_A     E    53_A      6   21   39      3    6    7   10   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     R    54_A     R    54_A     13   21   39      3   11   13   14   18   22   23   23   26   29   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     R    55_A     R    55_A     13   21   39      7   11   13   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     D    56_A     D    56_A     13   21   39      7   11   13   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     E    57_A     E    57_A     13   21   39      7   11   13   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     I    58_A     I    58_A     13   21   39      7   11   13   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     K    59_A     K    59_A     13   21   39      6   11   13   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     A    60_A     A    60_A     13   21   39      7   11   13   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     D    61_A     D    61_A     13   21   39      7   11   13   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     L    62_A     L    62_A     13   21   39      7   11   13   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     A    63_A     A    63_A     13   21   39      7   11   13   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     R    64_A     R    64_A     13   21   39      7   11   13   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     A    65_A     A    65_A     13   21   39      8   11   13   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     A    66_A     A    66_A     13   21   39      8    8   13   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     R    67_A     R    67_A      8   21   39      8    8    8   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     V    68_A     V    68_A      8   21   39      8    8    8   15   19   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     F    69_A     F    69_A      8   21   39      8    8    8   11   17   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     G    70_A     G    70_A      8   21   39      8    8    8   13   17   22   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     E    71_A     E    71_A      8   15   39      8    8    8   11   14   20   23   23   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     A    72_A     A    72_A      8   15   39      8    8    8   11   14   14   18   23   24   26   30   31   35   37   40   42   44   46   49   50 
LCS_GDT     L    73_A     L    73_A      4    9   39      3    4    4    4    7   12   15   22   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     E    74_A     E    74_A      4    5   39      3    4    4    4    5    8   11   14   17   23   28   34   36   37   40   42   44   46   49   50 
LCS_GDT     R    75_A     R    75_A      4    7   39      3    4    4    5    9   13   21   22   26   30   32   34   36   37   40   42   44   46   49   50 
LCS_GDT     D    76_A     D    76_A      4    7   39      3    4    4    5    9   12   14   20   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     I    77_A     I    77_A      4    7   39      3    8   12   14   16   18   19   22   26   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     T    78_A     T    78_A      7   10   39      3    6    7    8   12   16   19   21   25   28   31   33   36   38   40   42   44   46   49   50 
LCS_GDT     T    79_A     T    79_A      7   10   38      5    6    7    9   12   13   14   15   21   23   26   29   32   34   37   40   44   46   49   50 
LCS_GDT     P    80_A     P    80_A      7   10   26      5    6    7    9   12   13   14   15   16   17   22   23   25   26   28   29   31   39   42   46 
LCS_GDT     E    81_A     E    81_A      7   10   25      5    6    7    9   12   13   14   15   16   19   24   27   29   33   36   39   44   46   49   50 
LCS_GDT     D    82_A     D    82_A      7   10   25      5    6    7    9   12   13   14   15   20   24   27   32   36   38   39   42   44   46   49   50 
LCS_GDT     F    83_A     F    83_A      7   10   25      5    6    7    9   12   13   14   15   17   20   22   24   25   26   28   30   36   42   44   49 
LCS_GDT     N    84_A     N    84_A      7   10   25      4    6    7    9   12   13   14   15   16   18   22   24   25   26   28   29   30   32   35   42 
LCS_GDT     A    85_A     A    85_A      6   10   25      3    5    6    9   12   13   14   15   17   20   22   24   25   26   28   30   36   42   44   49 
LCS_GDT     F    86_A     F    86_A      6   10   25      5    5    6    9   12   13   14   15   17   20   22   24   25   26   28   33   40   42   44   49 
LCS_GDT     L    87_A     L    87_A      6   10   25      5    5    6    9   12   13   14   15   17   20   22   24   25   26   28   29   30   33   40   47 
LCS_GDT     R    88_A     R    88_A      6   10   25      5    5    6    9   12   13   14   15   17   20   22   24   25   26   28   29   30   32   33   39 
LCS_GDT     E    89_A     E    89_A      6   10   25      5    5    6    9   12   13   14   15   17   20   22   24   25   26   28   29   30   32   33   34 
LCS_GDT     L    90_A     L    90_A      6   10   25      5    5    6    9   12   13   14   15   17   20   22   24   25   26   28   29   30   32   33   34 
LCS_GDT     G    91_A     G    91_A      6   10   25      3    4    6    9   12   13   14   15   17   20   22   24   25   26   28   29   30   32   33   34 
LCS_GDT     P    92_A     P    92_A      4    5   25      3    4    4    6    7   12   14   15   17   20   22   24   25   26   28   29   30   32   33   34 
LCS_GDT     E    93_A     E    93_A      4    5   25      3    4    4    4    5    8   11   15   17   20   22   24   25   26   28   29   30   32   33   34 
LCS_GDT     A    94_A     A    94_A      4    5   25      3    4    4    6    9   11   12   15   17   20   22   24   25   26   28   29   30   32   33   34 
LCS_GDT     V    95_A     V    95_A      4    5   25      4    4    4    6    6    8   11   15   17   20   22   24   25   26   28   33   40   42   44   49 
LCS_GDT     E    96_A     E    96_A      4    5   26      4    4    4    6    6    6   11   12   14   19   20   21   23   26   28   33   40   42   44   49 
LCS_GDT     L    97_A     L    97_A      4    5   27      4    4    4    5    6    6   11   14   17   20   22   24   25   26   28   29   30   37   44   49 
LCS_GDT     V    98_A     V    98_A      4    5   30      4    4    4    5    9   11   12   15   17   20   22   25   25   26   28   30   30   34   35   40 
LCS_GDT     S    99_A     S    99_A      4    5   35      3    3    4    5    9    9   12   15   20   21   23   25   27   31   35   37   38   39   39   41 
LCS_GDT     T   100_A     T   100_A      4    4   36      3    3    4    6    7    9   12   16   20   22   23   25   28   31   35   37   38   39   39   39 
LCS_GDT     F   101_A     F   101_A      4    9   37      3    3    4    4    5    9   11   13   18   22   23   25   25   31   34   37   38   39   39   39 
LCS_GDT     T   102_A     T   102_A      9   10   37      7    8    9   10   12   13   13   18   21   23   26   27   30   31   35   37   38   39   39   39 
LCS_GDT     Q   103_A     Q   103_A      9   10   37      7    8    9   10   12   13   14   20   23   26   28   29   30   33   35   37   38   39   39   39 
LCS_GDT     Q   104_A     Q   104_A      9   10   37      7    8    9   10   12   17   21   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     F   105_A     F   105_A      9   10   37      7    8    9   10   12   13   17   23   28   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     V   106_A     V   106_A      9   10   37      7    8    9   10   12   13   18   23   28   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     D   107_A     D   107_A      9   10   37      7    8    9   10   12   13   20   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     V   108_A     V   108_A      9   10   37      7    8    9   10   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     I   109_A     I   109_A      9   10   37      4    8    9   10   21   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     R   110_A     R   110_A      9   10   37      4    7    9   10   12   13   17   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     G   111_A     G   111_A      4   10   37      3    3    4    9   12   17   22   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     D   112_A     D   112_A      4    6   37      3    4    4    5    8   17   22   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     P   113_A     P   113_A      4    5   37      3    4    4    5    5    8   13   18   20   22   24   27   30   34   35   37   38   39   39   39 
LCS_GDT     Q   114_A     Q   114_A      4   24   37      3    4    4    5    6    9   11   20   24   26   26   30   31   34   35   37   38   39   39   39 
LCS_GDT     A   115_A     A   115_A     23   24   37      9   14   21   23   23   23   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     V   116_A     V   116_A     23   24   37      9   19   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     A   117_A     A   117_A     23   24   37      9   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     E   118_A     E   118_A     23   24   37      9   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     H   119_A     H   119_A     23   24   37      9   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     L   120_A     L   120_A     23   24   37     10   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     N   121_A     N   121_A     23   24   37      9   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     I   122_A     I   122_A     23   24   37     10   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     S   123_A     S   123_A     23   24   37     13   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     L   124_A     L   124_A     23   24   37     13   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     E   125_A     E   125_A     23   24   37     13   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     D   126_A     D   126_A     23   24   37     13   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     V   127_A     V   127_A     23   24   37     13   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     A   128_A     A   128_A     23   24   37     13   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   39   39 
LCS_GDT     R   129_A     R   129_A     23   24   37      9   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   40   42   44 
LCS_GDT     L   130_A     L   130_A     23   24   37      9   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   39   41   42   46 
LCS_GDT     A   131_A     A   131_A     23   24   37     13   21   22   23   23   24   25   25   29   30   31   32   32   34   35   37   38   39   42   46 
LCS_GDT     E   132_A     E   132_A     23   24   37     13   21   22   23   23   24   25   25   29   30   31   32   32   34   35   38   41   45   48   50 
LCS_GDT     A   133_A     A   133_A     23   24   37     13   21   22   23   23   24   25   25   29   30   31   32   36   38   39   42   44   46   49   50 
LCS_GDT     G   134_A     G   134_A     23   24   37     13   21   22   23   23   24   25   25   29   30   31   32   35   38   39   42   44   46   49   50 
LCS_GDT     E   135_A     E   135_A     23   24   37     13   21   22   23   23   24   25   25   29   30   31   32   32   35   39   41   44   46   49   50 
LCS_GDT     A   136_A     A   136_A     23   24   37     13   21   22   23   23   24   25   25   29   30   32   34   36   38   40   42   44   46   49   50 
LCS_GDT     A   137_A     A   137_A     23   24   37     13   21   22   23   23   24   25   25   29   30   32   34   36   38   40   42   44   46   49   50 
LCS_AVERAGE  LCS_A:  13.78  (   7.74   10.36   23.24 )

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     13     21     22     23     23     24     25     25     29     30     32     34     36     38     40     42     44     46     49     50 
GDT PERCENT_AT   8.61  13.91  14.57  15.23  15.23  15.89  16.56  16.56  19.21  19.87  21.19  22.52  23.84  25.17  26.49  27.81  29.14  30.46  32.45  33.11
GDT RMS_LOCAL    0.32   0.64   0.68   0.78   0.78   1.31   1.38   1.38   2.56   2.79   3.76   3.94   4.28   4.51   4.61   4.88   5.09   5.40   5.80   5.89
GDT RMS_ALL_AT  30.73  31.32  31.29  31.28  31.28  31.53  31.49  31.49  31.71  31.94  20.50  20.84  19.27  19.09  20.32  19.45  19.64  19.14  18.96  19.03

# Checking swapping
#   possible swapping detected:  F    36_A      F    36_A
#   possible swapping detected:  D    40_A      D    40_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  D    61_A      D    61_A
#   possible swapping detected:  E    71_A      E    71_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    81_A      E    81_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  D   126_A      D   126_A
#   possible swapping detected:  E   135_A      E   135_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F    36_A      F    36_A    14.195     0    0.084   0.237    17.742    0.000    0.000
LGA    Q    37_A      Q    37_A    18.090     0    0.032   0.583    22.282    0.000    0.000
LGA    R    38_A      R    38_A    23.574     0    0.000   1.116    29.797    0.000    0.000
LGA    L    39_A      L    39_A    22.941     0    0.081   0.983    25.910    0.000    0.000
LGA    D    40_A      D    40_A    23.051     0    0.041   1.306    27.180    0.000    0.000
LGA    R    41_A      R    41_A    28.543     0    0.031   1.165    32.685    0.000    0.000
LGA    F    42_A      F    42_A    32.208     0    0.000   1.622    35.304    0.000    0.000
LGA    V    43_A      V    43_A    32.043     0    0.044   0.047    35.829    0.000    0.000
LGA    T    44_A      T    44_A    34.065     0    0.105   1.048    38.755    0.000    0.000
LGA    D    45_A      D    45_A    39.536     0    0.074   0.377    43.664    0.000    0.000
LGA    A    46_A      A    46_A    41.927     0    0.058   0.073    45.337    0.000    0.000
LGA    I    47_A      I    47_A    42.825     0    0.054   0.141    46.167    0.000    0.000
LGA    I    48_A      I    48_A    44.433     0    0.096   0.625    48.629    0.000    0.000
LGA    E    49_A      E    49_A    48.223     0    0.046   0.906    51.973    0.000    0.000
LGA    G    50_A      G    50_A    50.607     0    0.275   0.275    54.246    0.000    0.000
LGA    N    51_A      N    51_A    53.648     0    0.185   0.770    55.095    0.000    0.000
LGA    P    52_A      P    52_A    58.348     0    0.064   0.091    60.649    0.000    0.000
LGA    E    53_A      E    53_A    58.897     0    0.154   1.244    59.741    0.000    0.000
LGA    R    54_A      R    54_A    53.395     0    0.299   1.195    55.152    0.000    0.000
LGA    R    55_A      R    55_A    53.524     0    0.000   0.435    62.584    0.000    0.000
LGA    D    56_A      D    56_A    54.729     0    0.008   0.923    59.498    0.000    0.000
LGA    E    57_A      E    57_A    50.467     0    0.033   1.278    52.354    0.000    0.000
LGA    I    58_A      I    58_A    46.144     0    0.000   0.000    47.937    0.000    0.000
LGA    K    59_A      K    59_A    48.330     0    0.103   0.734    55.869    0.000    0.000
LGA    A    60_A      A    60_A    48.578     0    0.134   0.148    50.043    0.000    0.000
LGA    D    61_A      D    61_A    42.700     0    0.084   1.307    44.962    0.000    0.000
LGA    L    62_A      L    62_A    41.374     0    0.000   1.127    42.588    0.000    0.000
LGA    A    63_A      A    63_A    46.138     0    0.050   0.046    48.685    0.000    0.000
LGA    R    64_A      R    64_A    44.062     0    0.080   1.451    47.319    0.000    0.000
LGA    A    65_A      A    65_A    37.570     0    0.235   0.227    39.957    0.000    0.000
LGA    A    66_A      A    66_A    39.294     0    0.103   0.109    41.061    0.000    0.000
LGA    R    67_A      R    67_A    41.061     0    0.111   1.223    48.991    0.000    0.000
LGA    V    68_A      V    68_A    36.051     0    0.072   0.099    37.768    0.000    0.000
LGA    F    69_A      F    69_A    33.457     0    0.036   1.180    34.459    0.000    0.000
LGA    G    70_A      G    70_A    37.516     0    0.083   0.083    37.682    0.000    0.000
LGA    E    71_A      E    71_A    38.194     0    0.088   1.309    44.756    0.000    0.000
LGA    A    72_A      A    72_A    32.767     0    0.489   0.459    34.542    0.000    0.000
LGA    L    73_A      L    73_A    28.165     0    0.380   0.496    30.306    0.000    0.000
LGA    E    74_A      E    74_A    34.538     0    0.631   0.840    40.590    0.000    0.000
LGA    R    75_A      R    75_A    35.248     0    0.190   1.069    35.840    0.000    0.000
LGA    D    76_A      D    76_A    37.526     0    0.248   1.089    38.669    0.000    0.000
LGA    I    77_A      I    77_A    37.177     0    0.149   1.167    41.209    0.000    0.000
LGA    T    78_A      T    78_A    36.359     0    0.617   0.938    39.084    0.000    0.000
LGA    T    79_A      T    79_A    37.305     0    0.088   1.084    39.696    0.000    0.000
LGA    P    80_A      P    80_A    37.588     0    0.069   0.093    38.538    0.000    0.000
LGA    E    81_A      E    81_A    40.348     0    0.114   1.052    41.382    0.000    0.000
LGA    D    82_A      D    82_A    38.871     0    0.000   0.200    40.555    0.000    0.000
LGA    F    83_A      F    83_A    36.483     0    0.000   1.215    37.236    0.000    0.000
LGA    N    84_A      N    84_A    38.927     0    0.174   0.305    41.780    0.000    0.000
LGA    A    85_A      A    85_A    43.871     0    0.276   0.282    45.927    0.000    0.000
LGA    F    86_A      F    86_A    41.289     0    0.208   1.463    41.753    0.000    0.000
LGA    L    87_A      L    87_A    35.775     0    0.073   1.265    37.438    0.000    0.000
LGA    R    88_A      R    88_A    39.504     0    0.051   1.307    41.748    0.000    0.000
LGA    E    89_A      E    89_A    44.146     0    0.090   1.034    50.605    0.000    0.000
LGA    L    90_A      L    90_A    39.652     0    0.086   1.311    40.649    0.000    0.000
LGA    G    91_A      G    91_A    37.649     0    0.601   0.601    38.225    0.000    0.000
LGA    P    92_A      P    92_A    37.292     0    0.033   0.421    39.901    0.000    0.000
LGA    E    93_A      E    93_A    38.125     0    0.107   0.827    44.433    0.000    0.000
LGA    A    94_A      A    94_A    34.095     0    0.575   0.548    35.652    0.000    0.000
LGA    V    95_A      V    95_A    30.412     0    0.615   0.634    32.057    0.000    0.000
LGA    E    96_A      E    96_A    28.397     0    0.102   1.370    32.847    0.000    0.000
LGA    L    97_A      L    97_A    26.169     0    0.443   1.379    30.232    0.000    0.000
LGA    V    98_A      V    98_A    21.642     0    0.626   0.527    24.218    0.000    0.000
LGA    S    99_A      S    99_A    16.521     0    0.163   0.268    18.403    0.000    0.000
LGA    T   100_A      T   100_A    16.951     0    0.569   0.654    17.123    0.000    0.000
LGA    F   101_A      F   101_A    19.436     0    0.394   1.434    22.949    0.000    0.000
LGA    T   102_A      T   102_A    16.963     0    0.606   1.207    17.313    0.000    0.000
LGA    Q   103_A      Q   103_A    14.528     0    0.000   0.273    17.508    0.000    0.000
LGA    Q   104_A      Q   104_A     9.219     0    0.053   1.163    11.344    3.571    2.434
LGA    F   105_A      F   105_A     9.535     0    0.009   1.561    12.430    2.738    0.996
LGA    V   106_A      V   106_A     9.897     0    0.037   0.190    13.361    2.738    1.565
LGA    D   107_A      D   107_A     7.844     0    0.028   0.073    11.508   12.143    6.667
LGA    V   108_A      V   108_A     3.626     0    0.057   0.109     4.949   43.690   40.884
LGA    I   109_A      I   109_A     3.758     0    0.027   1.257     8.489   38.690   32.976
LGA    R   110_A      R   110_A     6.918     0    0.221   1.388    11.718   14.524    6.147
LGA    G   111_A      G   111_A     6.623     0    0.625   0.625     6.685   15.238   15.238
LGA    D   112_A      D   112_A     6.761     0    0.331   1.293     7.677   12.500   14.702
LGA    P   113_A      P   113_A     9.080     0    0.186   0.463    11.991    4.524    2.585
LGA    Q   114_A      Q   114_A     6.708     0    0.099   1.002    12.731   18.452    9.048
LGA    A   115_A      A   115_A     2.380     0    0.535   0.551     2.774   66.905   64.952
LGA    V   116_A      V   116_A     1.528     0    0.035   0.013     2.064   77.143   75.374
LGA    A   117_A      A   117_A     0.834     0    0.072   0.074     0.981   90.476   90.476
LGA    E   118_A      E   118_A     0.915     0    0.057   0.712     3.697   88.214   75.556
LGA    H   119_A      H   119_A     0.855     0    0.000   1.400     6.541   90.476   63.619
LGA    L   120_A      L   120_A     0.379     0    0.035   1.059     3.094   97.619   84.821
LGA    N   121_A      N   121_A     0.698     0    0.083   0.767     3.346   90.595   80.060
LGA    I   122_A      I   122_A     0.518     0    0.082   0.169     0.568   95.238   95.238
LGA    S   123_A      S   123_A     0.132     0    0.083   0.111     0.274  100.000  100.000
LGA    L   124_A      L   124_A     0.691     0    0.080   0.967     3.687   92.857   80.238
LGA    E   125_A      E   125_A     0.774     0    0.000   0.470     3.552   90.476   78.413
LGA    D   126_A      D   126_A     0.462     0    0.117   0.771     2.835   97.619   85.655
LGA    V   127_A      V   127_A     0.472     0    0.062   1.165     2.684  100.000   88.639
LGA    A   128_A      A   128_A     0.794     0    0.111   0.125     0.967   90.476   90.476
LGA    R   129_A      R   129_A     1.206     0    0.000   0.737     3.433   85.952   69.870
LGA    L   130_A      L   130_A     0.982     0    0.024   1.363     4.058   90.476   78.274
LGA    A   131_A      A   131_A     0.858     0    0.061   0.031     1.233   90.476   88.667
LGA    E   132_A      E   132_A     0.980     0    0.054   1.343     6.453   90.476   67.302
LGA    A   133_A      A   133_A     0.404     0    0.039   0.033     0.901  100.000   98.095
LGA    G   134_A      G   134_A     0.761     0    0.134   0.134     1.428   90.595   90.595
LGA    E   135_A      E   135_A     1.082     0    0.058   0.848     4.061   85.952   71.270
LGA    A   136_A      A   136_A     0.643     0    0.101   0.107     0.753   95.238   94.286
LGA    A   137_A      A   137_A     0.498     0    0.574   0.586     1.956   88.571   88.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      102     408    408  100.00     801    801  100.00               151
SUMMARY(RMSD_GDC):    14.582         14.495                 15.182           14.931   13.471

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102  151    4.0     25    1.38    18.377    16.318     1.694

LGA_LOCAL      RMSD:   1.376  Number of atoms:   25  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  31.491  Number of assigned atoms:  102 
Std_ASGN_ATOMS RMSD:  14.582  Standard rmsd on all 102 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.023907 * X  +   0.745478 * Y  +  -0.666101 * Z  +  31.106989
  Y_new =   0.890049 * X  +   0.287536 * Y  +   0.353745 * Z  + -478.379822
  Z_new =   0.455237 * X  +  -0.601320 * Y  +  -0.656638 * Z  + 303.679932 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.543942 -0.472638 -2.400140   [DEG:   88.4614  -27.0802 -137.5179 ]
ZXZ: -2.058988  2.287149  2.493587   [DEG: -117.9713  131.0440  142.8720 ]
 
# END of job
