
#######################################################
#                                                     #
#                        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  128 ( 1049),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  864),  selected  105 , 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:    43      23_A - 65_A        5.00    17.29
  LCS_AVERAGE:     36.73

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      59_A - 89_A        1.92    25.71
  LONGEST_CONTINUOUS_SEGMENT:    31      60_A - 90_A        1.99    25.77
  LCS_AVERAGE:     18.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      63_A - 86_A        0.99    25.71
  LCS_AVERAGE:     10.63

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     N    22_A     N    22_A      3    8   42      2    3    5    5    7    9   10   13   15   16   25   27   29   32   34   36   39   42   44   49 
LCS_GDT     K    23_A     K    23_A      4    8   43      3    4    4    6    7    9   16   24   27   30   32   34   36   41   42   44   44   48   51   55 
LCS_GDT     V    24_A     V    24_A      4   19   43      3    7   12   17   23   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     H    25_A     H    25_A      4   19   43      3    9   12   17   21   26   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     I    26_A     I    26_A      9   19   43      4    9   14   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     I    27_A     I    27_A      9   19   43      4   10   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     K    28_A     K    28_A      9   19   43      4   10   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     C    29_A     C    29_A      9   19   43      4   10   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     H    30_A     H    30_A      9   19   43      5   10   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     F    31_A     F    31_A      9   19   43      5   10   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     D    32_A     D    32_A      9   19   43      5   10   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   47   49   55 
LCS_GDT     K    33_A     K    33_A      9   19   43      5    8   13   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     C    34_A     C    34_A      9   19   43      5   10   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     N    35_A     N    35_A      7   19   43      5    7   14   18   24   28   30   32   33   35   35   35   36   41   42   44   44   47   49   55 
LCS_GDT     K    36_A     K    36_A      7   19   43      5    6   14   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     S    37_A     S    37_A      7   19   43      5    8   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     Y    38_A     Y    38_A      7   19   43      4   10   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     N    39_A     N    39_A      7   19   43      4    8   14   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     W    40_A     W    40_A      7   19   43      5    9   14   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     R    41_A     R    41_A      7   19   43      4    7   14   18   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     K    42_A     K    42_A      4   19   43      4    4   11   18   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     K    43_A     K    43_A      4   19   43      4    4    4    7   10   22   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     Y    44_A     Y    44_A      4   19   43      4    4    6   13   21   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     G    45_A     G    45_A      4   16   43      4    4    4    5    7   11   14   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     K    46_A     K    46_A     10   16   43      4    9   12   14   22   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     L    47_A     L    47_A     10   16   43      7    9   12   14   22   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     R    48_A     R    48_A     10   16   43      5    9   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     L    49_A     L    49_A     10   16   43      7    9   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     V    50_A     V    50_A     10   16   43      7    9   14   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     D    51_A     D    51_A     10   16   43      7    9   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     H    52_A     H    52_A     10   16   43      7   10   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     A    53_A     A    53_A     10   16   43      7    9   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     F    54_A     F    54_A     10   16   43      7   10   15   20   24   28   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     T    55_A     T    55_A     10   16   43      4    9   12   17   23   26   31   32   33   35   35   35   36   40   42   44   44   48   51   55 
LCS_GDT     H    56_A     H    56_A     10   13   43      4    5    9   12   14   21   24   29   33   35   35   35   36   37   40   44   44   48   51   55 
LCS_GDT     V    57_A     V    57_A      9   13   43      4    5    9   12   19   22   30   32   33   35   35   35   36   37   40   44   44   47   51   55 
LCS_GDT     P    58_A     P    58_A      3   13   43      3    3    4    5   13   26   31   32   33   35   35   35   36   41   42   44   44   48   51   55 
LCS_GDT     H    59_A     H    59_A      3   31   43      3    3    4    8   23   27   28   29   31   31   32   35   36   41   42   44   44   48   51   55 
LCS_GDT     L    60_A     L    60_A      3   31   43      3    3    4    5   26   27   28   30   31   31   32   35   36   41   42   44   44   48   51   55 
LCS_GDT     K    61_A     K    61_A     12   31   43      3    5   16   21   24   27   28   30   31   31   32   34   36   41   42   44   44   48   51   55 
LCS_GDT     M    62_A     M    62_A     22   31   43      5   17   23   25   26   27   28   30   31   31   32   32   36   41   42   44   44   48   51   55 
LCS_GDT     K    63_A     K    63_A     24   31   43      4   17   23   25   26   27   28   30   31   31   32   32   36   41   42   44   44   48   51   55 
LCS_GDT     C    64_A     C    64_A     24   31   43      5   17   23   25   26   27   28   30   31   31   32   32   36   41   42   44   44   48   51   55 
LCS_GDT     N    65_A     N    65_A     24   31   43      6   17   23   25   26   27   28   30   31   31   32   32   36   41   42   44   44   46   49   51 
LCS_GDT     F    66_A     F    66_A     24   31   38     10   17   23   25   26   27   28   30   31   31   32   32   36   41   42   44   44   47   49   55 
LCS_GDT     C    67_A     C    67_A     24   31   38      4   17   23   25   26   27   28   30   31   31   32   32   33   35   35   38   40   42   46   49 
LCS_GDT     D    68_A     D    68_A     24   31   38      6   17   23   25   26   27   28   30   31   31   32   32   33   35   35   38   40   42   44   45 
LCS_GDT     Y    69_A     Y    69_A     24   31   38      5   17   23   25   26   27   28   30   31   31   32   32   33   35   35   38   40   42   44   47 
LCS_GDT     M    70_A     M    70_A     24   31   38      5   17   23   25   26   27   28   30   31   31   32   32   33   35   35   38   40   46   51   55 
LCS_GDT     C    71_A     C    71_A     24   31   38      3   17   23   25   26   27   28   30   31   31   32   32   33   35   37   42   44   48   51   55 
LCS_GDT     K    72_A     K    72_A     24   31   38      3   17   23   25   26   27   28   30   31   31   32   32   33   35   38   42   44   48   51   55 
LCS_GDT     G    73_A     G    73_A     24   31   38      3   14   23   25   26   27   28   30   31   31   32   32   33   35   35   38   44   48   51   55 
LCS_GDT     I    74_A     I    74_A     24   31   38      3   14   23   25   26   27   28   30   31   31   32   32   33   35   35   37   39   43   44   55 
LCS_GDT     R    75_A     R    75_A     24   31   38     10   17   23   25   26   27   28   30   31   31   32   32   33   35   35   38   40   42   44   45 
LCS_GDT     N    76_A     N    76_A     24   31   38     10   17   23   25   26   27   28   30   31   31   32   32   33   35   35   38   40   42   44   45 
LCS_GDT     I    77_A     I    77_A     24   31   38     10   17   23   25   26   27   28   30   31   31   32   32   33   35   37   42   44   48   51   55 
LCS_GDT     R    78_A     R    78_A     24   31   38     10   17   23   25   26   27   28   30   31   31   32   32   33   35   35   38   40   43   51   55 
LCS_GDT     L    79_A     L    79_A     24   31   38     10   17   23   25   26   27   28   30   31   31   32   32   33   35   35   38   40   42   44   47 
LCS_GDT     H    80_A     H    80_A     24   31   38     10   17   23   25   26   27   28   30   31   31   32   32   33   35   37   42   44   48   51   55 
LCS_GDT     H    81_A     H    81_A     24   31   38     10   17   23   25   26   27   28   30   31   31   32   32   33   35   37   42   44   48   51   55 
LCS_GDT     K    82_A     K    82_A     24   31   38     10   15   23   25   26   27   28   30   31   31   32   32   33   35   35   38   40   44   51   55 
LCS_GDT     K    83_A     K    83_A     24   31   38     10   15   23   25   26   27   28   30   31   31   32   32   33   35   35   38   40   44   46   52 
LCS_GDT     S    84_A     S    84_A     24   31   38      3   14   23   25   26   27   28   30   31   31   32   32   33   35   37   42   44   48   51   55 
LCS_GDT     H    85_A     H    85_A     24   31   38      3   17   23   25   26   27   28   30   31   31   32   32   33   35   37   42   44   48   51   55 
LCS_GDT     P    86_A     P    86_A     24   31   38      4   17   23   25   26   27   28   30   31   31   32   32   33   35   37   42   44   48   51   55 
LCS_GDT     D    87_A     D    87_A      4   31   38      3    4    8    8   12   24   28   30   31   31   32   32   33   35   37   42   44   48   51   55 
LCS_GDT     E    88_A     E    88_A      4   31   38      3    4    8   10   20   27   28   30   31   31   32   32   33   35   37   40   44   46   51   55 
LCS_GDT     Q    89_A     Q    89_A      4   31   38      3    4   15   19   26   27   28   30   31   31   32   32   33   35   35   38   40   42   48   51 
LCS_GDT     L    90_A     L    90_A      4   31   38      3    5   10   14   21   26   28   29   31   31   32   32   33   35   36   39   42   45   48   50 
LCS_GDT     T    91_A     T    91_A      4    5   38      3    3    4    5    6    8   10   15   16   18   28   30   32   35   35   38   41   45   46   47 
LCS_GDT     G    92_A     G    92_A      4    5   38      3    3    4    5    5    8    9   11   13   16   23   25   30   32   40   40   41   45   46   47 
LCS_GDT     F    93_A     F    93_A      3    5   38      3    3    5    7    8   11   12   17   17   20   25   31   32   33   40   40   40   45   46   47 
LCS_GDT     G    94_A     G    94_A      3    4   38      1    4    5    7    7    9   12   15   16   17   23   25   28   32   34   38   40   42   44   45 
LCS_GDT     I    95_A     I    95_A      3    4   33      3    3    3    4    5    6    8   11   13   17   20   25   28   32   34   38   40   42   44   45 
LCS_GDT     K    96_A     K    96_A      3    4   33      3    3    3    4    5    6    6   10   14   18   21   22   29   31   34   37   40   42   44   45 
LCS_GDT     S    97_A     S    97_A      3    4   33      3    3    3    4    5    9   10   13   22   26   28   29   29   29   33   37   40   42   44   45 
LCS_GDT     V    98_A     V    98_A      3    5   33      1    3    4    9   14   19   21   22   26   27   28   29   29   29   30   31   32   34   38   41 
LCS_GDT     V    99_A     V    99_A      4    7   33      3    3    5    6    9   11   20   22   26   27   28   29   29   29   30   31   32   32   34   38 
LCS_GDT     R   100_A     R   100_A      4    7   33      3    3    5    5    9   11   17   22   26   27   28   29   29   29   30   31   32   32   32   33 
LCS_GDT     T   101_A     T   101_A      4   16   33      3    3    6    8   14   19   21   22   26   27   28   29   29   29   30   31   32   32   35   41 
LCS_GDT     S   102_A     S   102_A      4   16   33      4    4    5    9   13   17   21   22   26   27   28   29   29   29   30   31   32   32   32   39 
LCS_GDT     K   103_A     K   103_A      4   16   33      4    4    5    8   14   19   21   22   26   27   28   29   29   29   30   31   32   36   38   41 
LCS_GDT     K   104_A     K   104_A     13   16   33     11   13   13   13   13   15   21   22   26   27   28   29   29   29   30   31   32   32   32   41 
LCS_GDT     G   105_A     G   105_A     13   16   33     11   13   13   13   14   19   21   22   26   27   28   29   29   29   30   31   32   36   38   41 
LCS_GDT     K   106_A     K   106_A     13   16   33     11   13   13   13   14   19   21   22   26   27   28   29   29   29   30   31   32   33   38   41 
LCS_GDT     D   107_A     D   107_A     13   16   33     11   13   13   13   14   19   21   22   26   27   28   29   29   29   30   31   32   32   34   40 
LCS_GDT     L   108_A     L   108_A     13   16   33     11   13   13   13   14   19   21   22   26   27   28   29   29   29   30   31   32   34   38   41 
LCS_GDT     A   109_A     A   109_A     13   16   33     11   13   13   13   14   19   21   22   26   27   28   29   29   29   30   31   32   34   38   41 
LCS_GDT     K   110_A     K   110_A     13   16   33     11   13   13   13   14   19   21   22   26   27   28   29   29   29   30   31   32   34   38   40 
LCS_GDT     V   111_A     V   111_A     13   16   33     11   13   13   13   14   19   21   22   26   27   28   29   29   29   30   31   32   34   38   40 
LCS_GDT     W   112_A     W   112_A     13   16   33     11   13   13   13   14   19   21   22   26   27   28   29   29   29   30   31   32   33   38   44 
LCS_GDT     D   113_A     D   113_A     13   16   33     11   13   13   13   14   19   21   22   26   27   28   29   29   29   30   31   32   33   38   42 
LCS_GDT     E   114_A     E   114_A     13   16   33     11   13   13   13   14   19   21   22   26   27   28   29   29   29   30   31   32   34   38   42 
LCS_GDT     C   115_A     C   115_A     13   16   33      3   13   13   13   14   19   21   22   26   27   28   29   29   29   30   31   32   32   36   40 
LCS_GDT     F   116_A     F   116_A     13   16   33      3   13   13   13   14   19   21   22   26   27   28   29   29   29   30   31   32   32   36   42 
LCS_GDT     K   117_A     K   117_A      5   16   33      3    6    6    6    8   11   16   19   23   27   28   29   29   29   30   31   32   35   38   42 
LCS_GDT     K   118_A     K   118_A      5    8   33      3    6    6    6    8   12   16   22   26   27   28   29   29   29   30   31   32   32   32   32 
LCS_GDT     N   119_A     N   119_A      5    8   33      3    6    7    9   14   19   21   22   26   27   28   29   29   29   30   31   32   32   32   32 
LCS_GDT     R   120_A     R   120_A      4    6   33      3    4    4    5    6    7   10   14   26   27   28   29   29   29   30   31   32   32   32   32 
LCS_GDT     V   121_A     V   121_A      4    6   33      3    4    4    5    6    8   12   21   26   27   28   29   29   29   30   31   32   32   32   32 
LCS_GDT     L   122_A     L   122_A      3    6   33      3    3    4    8   14   19   21   22   26   27   28   29   29   29   30   31   32   32   33   36 
LCS_GDT     Q   123_A     Q   123_A      4    6   33      3    4    4    5   14   19   21   22   26   27   28   29   29   29   30   33   34   35   36   38 
LCS_GDT     H   124_A     H   124_A      4    6   33      3    4    4    8   14   19   21   22   26   27   28   29   29   29   30   33   34   36   38   41 
LCS_GDT     G   125_A     G   125_A      4    6   33      3    4    4    5    6    7   11   18   25   27   28   29   29   29   30   31   32   32   35   38 
LCS_GDT     S   126_A     S   126_A      4    6   33      3    4    4    5    6    7   10   11   11   13   18   21   26   29   30   30   32   32   32   36 
LCS_AVERAGE  LCS_A:  21.84  (  10.63   18.16   36.73 )

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     23     25     26     28     31     32     33     35     35     35     36     41     42     44     44     48     51     55 
GDT PERCENT_AT  10.48  16.19  21.90  23.81  24.76  26.67  29.52  30.48  31.43  33.33  33.33  33.33  34.29  39.05  40.00  41.90  41.90  45.71  48.57  52.38
GDT RMS_LOCAL    0.34   0.74   0.87   1.02   1.12   1.96   2.22   2.26   2.38   2.62   2.62   2.62   3.39   4.81   4.89   5.13   5.13   6.60   6.76   7.08
GDT RMS_ALL_AT  19.46  25.75  25.79  25.73  25.65  18.62  18.57  18.64  18.79  19.00  19.00  19.00  18.36  17.38  17.37  17.33  17.33  18.62  18.65  18.45

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  D   107_A      D   107_A
#   possible swapping detected:  E   114_A      E   114_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A    12.891     0    0.101   0.901    15.166    1.190    0.595
LGA    K    23_A      K    23_A     9.005     0    0.122   1.173    15.518    6.190    2.751
LGA    V    24_A      V    24_A     3.036     0    0.074   0.096     4.720   39.048   51.361
LGA    H    25_A      H    25_A     3.822     0    0.463   0.488    11.454   52.619   24.667
LGA    I    26_A      I    26_A     2.356     0    0.286   1.485     8.027   63.095   39.702
LGA    I    27_A      I    27_A     2.019     0    0.153   0.686     3.410   64.881   58.333
LGA    K    28_A      K    28_A     1.639     0    0.038   0.115     3.326   75.000   67.725
LGA    C    29_A      C    29_A     1.113     0    0.563   0.764     3.956   73.690   71.429
LGA    H    30_A      H    30_A     0.928     0    0.365   1.314     5.828   81.786   62.048
LGA    F    31_A      F    31_A     0.866     0    0.246   1.124     7.479   81.786   53.939
LGA    D    32_A      D    32_A     0.880     0    0.439   1.015     3.275   79.881   70.536
LGA    K    33_A      K    33_A     2.216     0    0.250   0.845     5.887   72.976   52.169
LGA    C    34_A      C    34_A     1.316     0    0.165   0.223     2.850   71.071   71.667
LGA    N    35_A      N    35_A     3.017     0    0.449   0.774     8.178   61.190   39.405
LGA    K    36_A      K    36_A     2.274     0    0.049   0.947     3.476   72.976   63.439
LGA    S    37_A      S    37_A     2.213     0    0.075   0.097     3.207   66.905   62.460
LGA    Y    38_A      Y    38_A     0.754     0    0.133   0.178     3.669   90.595   73.175
LGA    N    39_A      N    39_A     1.082     0    0.072   0.360     2.946   83.690   79.583
LGA    W    40_A      W    40_A     1.582     0    0.110   1.202     4.036   63.690   64.048
LGA    R    41_A      R    41_A     2.598     0    0.597   1.214     8.721   57.262   39.870
LGA    K    42_A      K    42_A     2.575     0    0.184   0.858     3.900   53.690   60.847
LGA    K    43_A      K    43_A     4.037     0    0.090   1.021     7.310   38.214   27.725
LGA    Y    44_A      Y    44_A     3.155     0    0.068   1.174     3.888   48.333   53.056
LGA    G    45_A      G    45_A     4.893     0    0.560   0.560     4.893   42.024   42.024
LGA    K    46_A      K    46_A     2.997     0    0.303   0.871     3.540   53.690   60.053
LGA    L    47_A      L    47_A     3.007     0    0.059   1.433     7.742   59.167   42.083
LGA    R    48_A      R    48_A     1.392     0    0.054   1.197     5.182   83.810   67.229
LGA    L    49_A      L    49_A     1.166     0    0.026   1.196     4.959   81.429   64.583
LGA    V    50_A      V    50_A     1.397     0    0.066   0.077     2.163   85.952   79.184
LGA    D    51_A      D    51_A     0.903     0    0.038   0.207     3.040   90.476   77.857
LGA    H    52_A      H    52_A     1.127     0    0.034   1.228     7.554   81.548   53.000
LGA    A    53_A      A    53_A     1.760     0    0.073   0.068     2.510   71.071   71.429
LGA    F    54_A      F    54_A     1.411     0    0.135   1.117     6.566   75.119   53.723
LGA    T    55_A      T    55_A     3.358     0    0.131   1.196     5.908   45.833   41.701
LGA    H    56_A      H    56_A     6.106     0    0.212   0.966     7.695   18.214   15.000
LGA    V    57_A      V    57_A     5.251     0    0.290   0.427     7.798   26.310   19.388
LGA    P    58_A      P    58_A     3.411     0    0.589   0.532     6.051   32.976   38.639
LGA    H    59_A      H    59_A     9.475     0    0.303   0.224    13.350    2.857    3.857
LGA    L    60_A      L    60_A    10.708     0    0.650   1.044    12.795    0.119    1.369
LGA    K    61_A      K    61_A    13.105     0    0.612   1.259    17.579    0.000    0.000
LGA    M    62_A      M    62_A    15.559     0    0.093   0.833    17.480    0.000    0.000
LGA    K    63_A      K    63_A    15.662     0    0.187   0.746    17.511    0.000    0.000
LGA    C    64_A      C    64_A    18.647     0    0.040   0.044    21.718    0.000    0.000
LGA    N    65_A      N    65_A    16.109     0    0.147   0.148    17.072    0.000    0.000
LGA    F    66_A      F    66_A    19.282     0    0.209   1.320    20.899    0.000    0.000
LGA    C    67_A      C    67_A    21.773     0    0.119   0.771    24.277    0.000    0.000
LGA    D    68_A      D    68_A    21.240     0    0.147   1.347    27.118    0.000    0.000
LGA    Y    69_A      Y    69_A    22.318     0    0.068   1.285    25.596    0.000    0.000
LGA    M    70_A      M    70_A    19.041     0    0.074   0.791    21.650    0.000    0.000
LGA    C    71_A      C    71_A    19.993     0    0.105   0.817    21.547    0.000    0.000
LGA    K    72_A      K    72_A    17.754     0    0.594   0.760    20.751    0.000    0.000
LGA    G    73_A      G    73_A    20.636     0    0.450   0.450    23.740    0.000    0.000
LGA    I    74_A      I    74_A    23.072     0    0.071   0.139    25.413    0.000    0.000
LGA    R    75_A      R    75_A    28.282     0    0.057   1.061    38.697    0.000    0.000
LGA    N    76_A      N    76_A    27.352     0    0.050   0.127    29.687    0.000    0.000
LGA    I    77_A      I    77_A    24.107     0    0.058   0.730    25.605    0.000    0.000
LGA    R    78_A      R    78_A    28.183     0    0.038   1.238    30.787    0.000    0.000
LGA    L    79_A      L    79_A    32.494     0    0.032   0.046    36.672    0.000    0.000
LGA    H    80_A      H    80_A    29.579     0    0.039   0.078    30.318    0.000    0.000
LGA    H    81_A      H    81_A    28.503     0    0.061   0.628    31.239    0.000    0.000
LGA    K    82_A      K    82_A    34.696     0    0.114   0.937    39.870    0.000    0.000
LGA    K    83_A      K    83_A    36.863     0    0.613   0.512    38.682    0.000    0.000
LGA    S    84_A      S    84_A    33.923     0    0.212   0.231    34.871    0.000    0.000
LGA    H    85_A      H    85_A    31.364     0    0.278   0.293    32.988    0.000    0.000
LGA    P    86_A      P    86_A    36.835     0    0.103   0.422    38.786    0.000    0.000
LGA    D    87_A      D    87_A    36.705     0    0.694   1.328    37.458    0.000    0.000
LGA    E    88_A      E    88_A    31.067     0    0.053   1.479    33.470    0.000    0.000
LGA    Q    89_A      Q    89_A    30.681     0    0.723   0.801    36.950    0.000    0.000
LGA    L    90_A      L    90_A    23.628     0    0.200   0.718    26.310    0.000    0.000
LGA    T    91_A      T    91_A    20.303     0    0.451   0.743    21.270    0.000    0.000
LGA    G    92_A      G    92_A    15.307     0    0.689   0.689    17.298    0.000    0.000
LGA    F    93_A      F    93_A    12.072     0    0.612   1.403    13.383    0.000    0.000
LGA    G    94_A      G    94_A    16.849     0    0.638   0.638    17.648    0.000    0.000
LGA    I    95_A      I    95_A    19.554     0    0.668   1.022    20.914    0.000    0.000
LGA    K    96_A      K    96_A    23.098     0    0.444   0.942    33.725    0.000    0.000
LGA    S    97_A      S    97_A    19.017     0    0.705   0.919    21.319    0.000    0.000
LGA    V    98_A      V    98_A    17.871     0    0.534   0.567    20.953    0.000    0.000
LGA    V    99_A      V    99_A    18.230     0    0.443   0.986    19.331    0.000    0.000
LGA    R   100_A      R   100_A    18.048     0    0.205   1.385    20.438    0.000    0.000
LGA    T   101_A      T   101_A    18.033     0    0.635   0.903    20.807    0.000    0.000
LGA    S   102_A      S   102_A    17.608     0    0.643   0.821    20.473    0.000    0.000
LGA    K   103_A      K   103_A    14.913     0    0.073   0.787    16.155    0.000    0.000
LGA    K   104_A      K   104_A    14.843     4    0.349   0.337    15.742    0.000    0.000
LGA    G   105_A      G   105_A    14.228     0    0.053   0.053    14.940    0.000    0.000
LGA    K   106_A      K   106_A    15.851     0    0.018   0.987    17.174    0.000    0.000
LGA    D   107_A      D   107_A    17.189     0    0.050   0.195    17.896    0.000    0.000
LGA    L   108_A      L   108_A    16.122     0    0.045   0.277    16.792    0.000    0.000
LGA    A   109_A      A   109_A    17.104     0    0.059   0.057    18.767    0.000    0.000
LGA    K   110_A      K   110_A    19.682     0    0.033   0.718    25.842    0.000    0.000
LGA    V   111_A      V   111_A    19.967     0    0.087   0.964    21.439    0.000    0.000
LGA    W   112_A      W   112_A    18.827     0    0.047   1.620    20.428    0.000    0.000
LGA    D   113_A      D   113_A    21.006     0    0.018   1.131    22.673    0.000    0.000
LGA    E   114_A      E   114_A    22.905     0    0.078   0.098    24.136    0.000    0.000
LGA    C   115_A      C   115_A    23.764     0    0.169   0.168    24.761    0.000    0.000
LGA    F   116_A      F   116_A    22.726     0    0.343   0.542    24.087    0.000    0.000
LGA    K   117_A      K   117_A    26.263     0    0.244   0.869    29.849    0.000    0.000
LGA    K   118_A      K   118_A    29.754     0    0.701   0.608    35.469    0.000    0.000
LGA    N   119_A      N   119_A    27.428     0    0.109   0.941    28.074    0.000    0.000
LGA    R   120_A      R   120_A    28.543     6    0.102   0.102    29.362    0.000    0.000
LGA    V   121_A      V   121_A    25.862     0    0.732   0.990    26.568    0.000    0.000
LGA    L   122_A      L   122_A    21.210     0    0.673   0.558    23.129    0.000    0.000
LGA    Q   123_A      Q   123_A    19.249     0    0.217   1.003    20.415    0.000    0.000
LGA    H   124_A      H   124_A    17.405     0    0.475   1.392    19.002    0.000    0.000
LGA    G   125_A      G   125_A    23.023     0    0.524   0.524    26.644    0.000    0.000
LGA    S   126_A      S   126_A    27.924     0    0.604   0.595    28.967    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     864    864  100.00               105
SUMMARY(RMSD_GDC):    15.157         15.165                 15.396           21.432   18.301

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     32    2.26    28.095    25.997     1.358

LGA_LOCAL      RMSD:   2.256  Number of atoms:   32  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.638  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  15.157  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.106426 * X  +   0.828676 * Y  +   0.549518 * Z  +   7.025883
  Y_new =  -0.216350 * X  +   0.558715 * Y  +  -0.800644 * Z  +   7.021994
  Z_new =  -0.970498 * X  +  -0.033679 * Y  +   0.238745 * Z  +  43.831459 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.113638  1.327288 -0.140142   [DEG:  -63.8068   76.0480   -8.0296 ]
ZXZ:  0.601503  1.329723 -1.605485   [DEG:   34.4636   76.1875  -91.9875 ]
 
# END of job
