
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42      21_A - 62_A        4.96    17.41
  LCS_AVERAGE:     36.06

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      59_A - 88_A        1.92    26.48
  LCS_AVERAGE:     17.02

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      60_A - 85_A        0.99    26.24
  LCS_AVERAGE:     11.61

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A      3    4   23      3    3    3    6    6    7    9   10   12   17   20   21   21   29   30   31   36   37   41   42 
LCS_GDT     E    18_A     E    18_A      3    4   23      3    3    3    4    4    5    8   10   12   15   20   23   24   29   30   31   36   43   46   49 
LCS_GDT     E    19_A     E    19_A      3    4   37      3    3    3    4    4    7   10   12   14   16   20   23   24   29   30   32   37   43   46   49 
LCS_GDT     M    20_A     M    20_A      5    6   40      3    4    5    6    6    7   10   11   14   17   20   20   24   29   30   31   36   37   46   49 
LCS_GDT     N    21_A     N    21_A      5    6   42      3    4    5    6    6    8   14   25   27   27   30   33   36   37   41   42   47   48   49   53 
LCS_GDT     K    22_A     K    22_A      5    6   42      3    4    5    6    6    7   13   22   27   28   32   33   36   39   41   44   47   48   51   53 
LCS_GDT     V    23_A     V    23_A      5    6   42      3    4   12   12   16   23   28   29   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     H    24_A     H    24_A      5    6   42      3    5   13   15   16   21   26   29   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     N    25_A     N    25_A      7   16   42      7   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     I    26_A     I    26_A      7   16   42      7   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     K    27_A     K    27_A      7   16   42      7   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     C    28_A     C    28_A      7   16   42      7   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     H    29_A     H    29_A      7   16   42      7   10   12   20   22   25   28   30   33   34   35   36   36   39   41   43   47   48   51   53 
LCS_GDT     F    30_A     F    30_A      7   16   42      7   10   12   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     D    31_A     D    31_A      7   16   42      7   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     N    32_A     N    32_A      4   16   42      3    3    5   11   13   22   24   28   31   34   35   36   36   37   40   43   47   48   49   51 
LCS_GDT     C    33_A     C    33_A      6   16   42      4    7   11   16   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     N    34_A     N    34_A      6   16   42      4    9   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     R    35_A     R    35_A      6   16   42      7   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     K    36_A     K    36_A      6   16   42      4   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     I    37_A     I    37_A      6   16   42      5   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     H    38_A     H    38_A      6   16   42      3    6   11   18   21   24   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     W    39_A     W    39_A      4   17   42      3    3    4   15   21   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     K    40_A     K    40_A      4   17   42      3    3    4    8   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     I    41_A     I    41_A      4   17   42      3    5    7   13   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     R    42_A     R    42_A      3   17   42      3    3   14   15   16   19   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     Y    43_A     Y    43_A      3   17   42      3   10   14   15   17   24   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     G    44_A     G    44_A      3   17   42      3    3    3    6   13   17   25   28   32   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     K    45_A     K    45_A     11   17   42     10   10   14   15   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     L    46_A     L    46_A     11   17   42     10   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     R    47_A     R    47_A     11   17   42     10   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     L    48_A     L    48_A     11   17   42     10   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     V    49_A     V    49_A     11   17   42     10   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     D    50_A     D    50_A     11   17   42     10   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     H    51_A     H    51_A     11   17   42     10   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     A    52_A     A    52_A     11   17   42     10   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     L    53_A     L    53_A     11   17   42     10   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     S    54_A     S    54_A     11   17   42     10   10   14   20   22   25   28   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     H    55_A     H    55_A     11   17   42      4   10   14   15   17   24   28   30   33   34   35   36   36   40   41   44   46   48   51   53 
LCS_GDT     Q    56_A     Q    56_A      4   16   42      3    4    7   11   15   18   25   30   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     E    57_A     E    57_A      4   13   42      3    4    4    5    8   12   14   27   33   34   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     E    58_A     E    58_A      4    6   42      3    4    7    9   13   15   19   23   27   32   35   36   38   40   41   44   47   48   51   53 
LCS_GDT     K    59_A     K    59_A      4   30   42      3    3    5    6    9   17   19   29   29   30   30   32   33   39   41   44   47   48   51   53 
LCS_GDT     S    60_A     S    60_A     26   30   42      5   18   27   28   28   28   28   29   29   30   30   35   38   40   41   44   47   48   51   53 
LCS_GDT     I    61_A     I    61_A     26   30   42      5   18   27   28   28   28   28   29   29   30   30   35   38   40   41   44   47   48   51   53 
LCS_GDT     D    62_A     D    62_A     26   30   42      5   18   27   28   28   28   28   29   29   30   30   35   38   40   41   44   47   48   51   53 
LCS_GDT     C    63_A     C    63_A     26   30   41      5   15   27   28   28   28   28   29   29   30   30   32   37   40   41   44   47   48   51   53 
LCS_GDT     Q    64_A     Q    64_A     26   30   39      5   17   27   28   28   28   28   29   29   30   30   35   38   40   41   44   47   48   49   51 
LCS_GDT     K    65_A     K    65_A     26   30   39      4   18   27   28   28   28   28   29   29   30   30   32   38   40   41   44   47   48   49   51 
LCS_GDT     C    66_A     C    66_A     26   30   39      4   17   27   28   28   28   28   29   29   30   30   32   33   35   37   40   45   48   49   51 
LCS_GDT     E    67_A     E    67_A     26   30   39      4   18   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   46   46   47 
LCS_GDT     Y    68_A     Y    68_A     26   30   39      5   18   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   46   46   49 
LCS_GDT     S    69_A     S    69_A     26   30   39      5   18   27   28   28   28   28   29   29   30   30   32   33   35   37   44   47   48   51   53 
LCS_GDT     C    70_A     C    70_A     26   30   39      6   18   27   28   28   28   28   29   29   30   30   32   33   35   41   44   47   48   51   53 
LCS_GDT     Q    71_A     Q    71_A     26   30   39      3   18   27   28   28   28   28   29   29   30   30   32   33   36   41   44   47   48   51   53 
LCS_GDT     T    72_A     T    72_A     26   30   39      6   16   27   28   28   28   28   29   29   30   30   31   33   35   36   40   44   48   51   53 
LCS_GDT     T    73_A     T    73_A     26   30   39      6   14   27   28   28   28   28   29   29   30   30   31   33   35   36   40   44   46   46   48 
LCS_GDT     R    74_A     R    74_A     26   30   39      6   18   27   28   28   28   28   29   29   30   30   31   33   35   37   40   44   46   46   48 
LCS_GDT     Q    75_A     Q    75_A     26   30   39      6   18   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   46   46   48 
LCS_GDT     M    76_A     M    76_A     26   30   39      6   18   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   48   51   53 
LCS_GDT     R    77_A     R    77_A     26   30   39      6   18   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   46   46   48 
LCS_GDT     Y    78_A     Y    78_A     26   30   39      6   18   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   46   46   48 
LCS_GDT     H    79_A     H    79_A     26   30   39      6   18   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   48   51   53 
LCS_GDT     Y    80_A     Y    80_A     26   30   39      6   18   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   48   51   53 
LCS_GDT     K    81_A     K    81_A     26   30   39      6   17   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   46   46   48 
LCS_GDT     K    82_A     K    82_A     26   30   39      5   15   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   46   46   48 
LCS_GDT     I    83_A     I    83_A     26   30   39      5   14   24   28   28   28   28   29   29   30   30   32   33   35   37   40   44   48   51   53 
LCS_GDT     H    84_A     H    84_A     26   30   39      5   18   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   48   51   53 
LCS_GDT     A    85_A     A    85_A     26   30   39      5   18   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   48   51   53 
LCS_GDT     N    86_A     N    86_A     18   30   39      5   17   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   48   51   53 
LCS_GDT     L    87_A     L    87_A     18   30   39      5   17   27   28   28   28   28   29   29   30   30   32   33   35   37   40   44   47   50   53 
LCS_GDT     K    88_A     K    88_A      4   30   39      3    4    8   10   14   23   25   28   29   30   30   32   33   35   37   40   44   46   49   51 
LCS_GDT     M    89_A     M    89_A      4   11   39      3    4    8   10   11   13   16   18   20   26   30   32   33   35   37   40   44   46   49   51 
LCS_GDT     E    90_A     E    90_A      4   11   39      3    4    8   10   11   13   16   18   20   21   27   32   33   35   37   40   44   46   46   48 
LCS_GDT     G    91_A     G    91_A      3   11   39      3    3    5   10   11   13   16   20   23   27   30   32   33   35   37   40   44   46   46   48 
LCS_GDT     F    92_A     F    92_A      3   11   39      3    4    8   10   11   13   16   17   18   21   26   28   33   34   37   40   44   46   46   48 
LCS_GDT     G    93_A     G    93_A      3   11   39      3    3    8   10   11   13   16   17   18   21   24   28   30   32   35   39   41   46   46   48 
LCS_GDT     I    94_A     I    94_A      3    4   39      3    3    3    4    5    9   13   16   20   21   26   28   33   35   37   40   44   46   46   48 
LCS_GDT     L    95_A     L    95_A      3    4   38      3    3    4    4    5    6    6   12   17   21   23   25   32   35   37   40   44   46   46   48 
LCS_GDT     N    96_A     N    96_A      5    6   29      3    4    5    5    6    7    8   11   15   21   24   27   32   35   37   40   44   46   46   48 
LCS_GDT     I    97_A     I    97_A      5    6   29      3    4    5    5    9   11   13   15   18   21   23   24   25   27   28   32   37   40   42   46 
LCS_GDT     P    98_A     P    98_A      5    6   29      3    4    5    7    9   11   14   17   18   21   23   24   25   27   28   35   38   41   43   46 
LCS_GDT     L    99_A     L    99_A      5    6   29      3    4    5    5    7    9   11   15   18   21   23   24   25   27   28   29   30   31   31   34 
LCS_GDT     Q   100_A     Q   100_A      5   14   29      0    4    5    5    7   13   13   15   18   21   23   24   25   27   28   29   32   36   43   46 
LCS_GDT     N   101_A     N   101_A     13   14   29      5   11   12   13   13   15   18   18   19   21   24   29   29   32   34   37   39   41   43   46 
LCS_GDT     T   102_A     T   102_A     13   14   29      6   11   12   13   13   15   18   18   19   21   23   24   25   27   34   35   39   41   43   46 
LCS_GDT     K   103_A     K   103_A     13   14   29      6   11   12   13   13   15   18   18   19   21   23   24   25   27   28   29   32   40   42   46 
LCS_GDT     F   104_A     F   104_A     13   14   29      7   11   12   13   13   15   18   18   19   21   23   24   25   27   28   32   39   41   43   46 
LCS_GDT     S   105_A     S   105_A     13   14   29      7   11   12   13   13   15   18   18   19   21   23   24   25   27   29   32   38   40   43   46 
LCS_GDT     D   106_A     D   106_A     13   14   29      7   11   12   13   13   15   18   18   19   21   23   24   25   27   28   29   30   37   40   41 
LCS_GDT     V   107_A     V   107_A     13   14   29      7   11   12   13   13   15   18   18   19   21   23   24   25   27   28   29   30   31   32   40 
LCS_GDT     W   108_A     W   108_A     13   14   29      7   11   12   13   13   15   18   18   19   21   23   24   25   27   28   29   33   37   41   46 
LCS_GDT     N   109_A     N   109_A     13   14   29      5   11   12   13   13   15   18   18   19   21   23   24   25   27   28   29   33   37   41   46 
LCS_GDT     K   110_A     K   110_A     13   14   29      7   11   12   13   13   15   18   18   19   21   23   24   25   27   28   29   30   31   32   34 
LCS_GDT     C   111_A     C   111_A     13   14   29      7   11   12   13   13   13   14   17   19   21   23   24   25   27   28   29   30   31   32   40 
LCS_GDT     F   112_A     F   112_A     13   14   29      3    4   11   13   13   13   14   15   18   21   23   24   25   27   28   29   33   37   43   46 
LCS_GDT     G   113_A     G   113_A     13   14   29      3    8   12   13   13   15   18   18   19   21   23   24   25   27   28   32   35   37   44   46 
LCS_GDT     D   114_A     D   114_A      6   14   29      3    4    8   11   13   15   18   18   19   21   23   24   25   27   28   29   30   31   43   46 
LCS_GDT     Q   115_A     Q   115_A      6    9   29      5    5    8    9   11   15   18   18   19   21   23   24   25   27   28   29   30   31   31   33 
LCS_GDT     L   116_A     L   116_A      6    9   29      5    5    8   11   12   15   18   18   19   21   23   24   25   27   28   32   35   39   43   46 
LCS_GDT     K   117_A     K   117_A      6    9   29      5    5    8    9   11   15   18   18   19   20   22   24   25   27   28   29   30   39   42   46 
LCS_GDT     T   118_A     T   118_A      6    9   29      5    5    8    9   12   15   18   18   19   21   23   24   25   27   28   29   30   31   31   41 
LCS_GDT     I   119_A     I   119_A      6    9   29      5    5    8   11   12   15   18   18   19   21   23   24   25   27   28   29   30   31   43   44 
LCS_GDT     G   120_A     G   120_A      6    9   29      3    3    3    9   11   14   18   18   19   20   23   24   25   27   28   29   30   31   31   31 
LCS_AVERAGE  LCS_A:  21.56  (  11.61   17.02   36.06 )

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     18     27     28     28     28     28     30     33     34     35     36     38     40     41     44     47     48     51     53 
GDT PERCENT_AT   9.62  17.31  25.96  26.92  26.92  26.92  26.92  28.85  31.73  32.69  33.65  34.62  36.54  38.46  39.42  42.31  45.19  46.15  49.04  50.96
GDT RMS_LOCAL    0.30   0.73   0.99   1.03   1.03   1.03   1.03   2.31   2.72   2.84   2.92   3.18   4.64   4.84   4.90   5.40   5.77   5.84   6.99   7.13
GDT RMS_ALL_AT  18.01  26.32  26.34  26.30  26.30  26.30  26.30  19.37  19.02  19.19  19.24  18.95  16.91  16.81  16.80  16.84  16.93  16.89  17.05  17.13

# Checking swapping
#   possible swapping detected:  F    30_A      F    30_A
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  D    62_A      D    62_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  D   106_A      D   106_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A    23.687     4    0.595   0.555    25.807    0.000    0.000
LGA    E    18_A      E    18_A    23.830     4    0.126   0.127    24.280    0.000    0.000
LGA    E    19_A      E    19_A    22.428     4    0.712   0.646    23.078    0.000    0.000
LGA    M    20_A      M    20_A    20.052     0    0.603   1.134    24.840    0.000    0.000
LGA    N    21_A      N    21_A    13.057     0    0.653   1.286    15.768    0.000    0.000
LGA    K    22_A      K    22_A    10.682     0    0.099   0.853    19.557    0.357    0.159
LGA    V    23_A      V    23_A     5.785     0    0.223   1.174     7.631   13.214   31.088
LGA    H    24_A      H    24_A     5.730     0    0.497   0.600    14.153   34.048   14.333
LGA    N    25_A      N    25_A     1.913     0    0.629   1.340     7.804   64.881   41.071
LGA    I    26_A      I    26_A     2.088     0    0.057   0.770     5.017   72.976   61.250
LGA    K    27_A      K    27_A     1.773     0    0.073   0.815     7.070   70.833   50.635
LGA    C    28_A      C    28_A     1.827     0    0.116   0.159     2.553   72.857   70.238
LGA    H    29_A      H    29_A     2.270     0    0.109   1.142     6.082   68.810   53.714
LGA    F    30_A      F    30_A     1.934     0    0.681   1.011     7.337   61.905   46.580
LGA    D    31_A      D    31_A     1.676     0    0.155   1.052     2.949   66.905   66.905
LGA    N    32_A      N    32_A     5.903     0    0.276   1.399    11.311   25.238   13.571
LGA    C    33_A      C    33_A     3.108     0    0.478   0.998     5.283   44.048   48.730
LGA    N    34_A      N    34_A     1.722     0    0.057   0.199     3.294   70.833   65.952
LGA    R    35_A      R    35_A     0.971     0    0.133   1.219     7.438   86.071   56.407
LGA    K    36_A      K    36_A     1.469     0    0.070   0.983     4.430   77.143   59.577
LGA    I    37_A      I    37_A     1.694     0    0.131   1.206     3.836   63.452   57.679
LGA    H    38_A      H    38_A     3.007     0    0.386   1.171    11.093   76.071   34.667
LGA    W    39_A      W    39_A     2.895     0    0.029   1.120    13.457   69.048   25.374
LGA    K    40_A      K    40_A     3.163     0    0.659   0.585     6.769   45.357   34.656
LGA    I    41_A      I    41_A     3.705     0    0.098   0.156     8.191   46.905   32.917
LGA    R    42_A      R    42_A     4.024     0    0.233   1.917    13.385   43.690   19.307
LGA    Y    43_A      Y    43_A     2.805     0    0.753   1.484     8.828   59.167   34.167
LGA    G    44_A      G    44_A     5.177     0    0.620   0.620     5.177   35.952   35.952
LGA    K    45_A      K    45_A     2.586     0    0.220   0.650     4.784   61.548   51.058
LGA    L    46_A      L    46_A     1.712     0    0.034   1.389     5.434   77.143   61.786
LGA    R    47_A      R    47_A     0.882     0    0.089   0.970     2.807   83.690   76.320
LGA    L    48_A      L    48_A     1.510     0    0.045   1.251     4.927   79.286   62.738
LGA    V    49_A      V    49_A     1.423     0    0.065   0.080     2.074   83.690   77.891
LGA    D    50_A      D    50_A     0.782     0    0.053   1.002     3.099   90.476   81.012
LGA    H    51_A      H    51_A     1.139     0    0.022   0.143     2.120   83.690   76.429
LGA    A    52_A      A    52_A     1.256     0    0.034   0.035     1.479   83.690   83.238
LGA    L    53_A      L    53_A     0.895     0    0.086   0.130     2.335   88.214   79.583
LGA    S    54_A      S    54_A     1.915     0    0.166   0.245     2.830   69.048   65.079
LGA    H    55_A      H    55_A     2.881     0    0.188   1.198     6.121   54.048   36.048
LGA    Q    56_A      Q    56_A     4.330     0    0.374   1.030    11.893   35.714   17.725
LGA    E    57_A      E    57_A     5.675     4    0.055   0.053     8.519   18.690   10.688
LGA    E    58_A      E    58_A     9.024     4    0.622   0.603    11.459    3.690    1.693
LGA    K    59_A      K    59_A    15.092     0    0.602   1.416    22.350    0.000    0.000
LGA    S    60_A      S    60_A    13.517     0    0.648   0.841    13.632    0.000    0.000
LGA    I    61_A      I    61_A    15.252     0    0.108   0.665    17.554    0.000    0.000
LGA    D    62_A      D    62_A    15.868     0    0.101   1.390    17.691    0.000    0.000
LGA    C    63_A      C    63_A    20.313     0    0.662   0.763    25.429    0.000    0.000
LGA    Q    64_A      Q    64_A    18.257     0    0.295   1.066    19.279    0.000    0.000
LGA    K    65_A      K    65_A    21.420     0    0.073   1.139    25.845    0.000    0.000
LGA    C    66_A      C    66_A    23.095     0    0.193   0.773    26.207    0.000    0.000
LGA    E    67_A      E    67_A    21.135     4    0.445   0.414    21.584    0.000    0.000
LGA    Y    68_A      Y    68_A    22.782     0    0.091   1.260    27.666    0.000    0.000
LGA    S    69_A      S    69_A    18.995     0    0.092   0.682    21.288    0.000    0.000
LGA    C    70_A      C    70_A    19.973     0    0.208   0.706    21.978    0.000    0.000
LGA    Q    71_A      Q    71_A    17.570     0    0.115   1.054    18.625    0.000    0.000
LGA    T    72_A      T    72_A    20.965     0    0.078   0.154    23.781    0.000    0.000
LGA    T    73_A      T    73_A    24.569     0    0.080   1.211    27.273    0.000    0.000
LGA    R    74_A      R    74_A    29.315     0    0.038   1.275    40.199    0.000    0.000
LGA    Q    75_A      Q    75_A    27.702     0    0.032   0.403    28.562    0.000    0.000
LGA    M    76_A      M    76_A    25.768     0    0.112   1.070    28.165    0.000    0.000
LGA    R    77_A      R    77_A    31.360     0    0.054   1.083    38.963    0.000    0.000
LGA    Y    78_A      Y    78_A    34.954     0    0.021   1.413    44.051    0.000    0.000
LGA    H    79_A      H    79_A    31.896     0    0.026   0.556    33.756    0.000    0.000
LGA    Y    80_A      Y    80_A    32.448     0    0.101   0.285    36.040    0.000    0.000
LGA    K    81_A      K    81_A    39.306     0    0.041   1.071    45.297    0.000    0.000
LGA    K    82_A      K    82_A    41.590     0    0.112   0.991    44.871    0.000    0.000
LGA    I    83_A      I    83_A    38.270     0    0.097   1.528    38.683    0.000    0.000
LGA    H    84_A      H    84_A    34.919     0    0.095   0.171    36.335    0.000    0.000
LGA    A    85_A      A    85_A    40.756     0    0.102   0.097    43.567    0.000    0.000
LGA    N    86_A      N    86_A    39.860     3    0.389   0.374    40.662    0.000    0.000
LGA    L    87_A      L    87_A    34.165     0    0.396   1.376    37.239    0.000    0.000
LGA    K    88_A      K    88_A    30.426     0    0.101   0.630    34.572    0.000    0.000
LGA    M    89_A      M    89_A    23.986     0    0.223   0.702    26.717    0.000    0.000
LGA    E    90_A      E    90_A    21.292     0    0.594   1.175    22.774    0.000    0.000
LGA    G    91_A      G    91_A    16.464     0    0.637   0.637    17.783    0.000    0.000
LGA    F    92_A      F    92_A    13.738     0    0.196   1.177    15.197    0.000    0.000
LGA    G    93_A      G    93_A    18.721     0    0.659   0.659    18.724    0.000    0.000
LGA    I    94_A      I    94_A    19.404     0    0.045   1.318    23.663    0.000    0.000
LGA    L    95_A      L    95_A    20.321     0    0.400   0.301    26.018    0.000    0.000
LGA    N    96_A      N    96_A    18.139     0    0.680   1.286    22.728    0.000    0.000
LGA    I    97_A      I    97_A    17.677     0    0.048   1.166    24.773    0.000    0.000
LGA    P    98_A      P    98_A    13.481     0    0.134   0.183    14.721    0.000    0.000
LGA    L    99_A      L    99_A    17.863     0    0.041   1.429    24.406    0.000    0.000
LGA    Q   100_A      Q   100_A    15.248     0    0.407   0.914    22.521    0.000    0.000
LGA    N   101_A      N   101_A    10.401     0    0.592   1.209    13.618    0.000    0.000
LGA    T   102_A      T   102_A    11.729     0    0.044   0.058    12.898    0.000    0.000
LGA    K   103_A      K   103_A    12.360     0    0.127   0.835    15.322    0.000    0.000
LGA    F   104_A      F   104_A    11.668     0    0.075   1.096    14.469    0.000    0.000
LGA    S   105_A      S   105_A    13.010     0    0.055   0.551    15.292    0.000    0.000
LGA    D   106_A      D   106_A    15.655     0    0.060   0.189    17.602    0.000    0.000
LGA    V   107_A      V   107_A    15.857     0    0.073   0.961    17.221    0.000    0.000
LGA    W   108_A      W   108_A    15.247     0    0.024   1.248    17.932    0.000    0.000
LGA    N   109_A      N   109_A    19.441     0    0.047   0.721    21.924    0.000    0.000
LGA    K   110_A      K   110_A    21.485     0    0.091   1.309    28.135    0.000    0.000
LGA    C   111_A      C   111_A    20.150     0    0.176   0.177    20.712    0.000    0.000
LGA    F   112_A      F   112_A    19.676     0    0.146   1.532    21.484    0.000    0.000
LGA    G   113_A      G   113_A    23.363     0    0.063   0.063    26.476    0.000    0.000
LGA    D   114_A      D   114_A    29.466     3    0.034   0.035    32.483    0.000    0.000
LGA    Q   115_A      Q   115_A    28.882     0    0.061   1.076    30.778    0.000    0.000
LGA    L   116_A      L   116_A    24.922     0    0.186   1.009    26.486    0.000    0.000
LGA    K   117_A      K   117_A    30.120     0    0.104   0.830    38.864    0.000    0.000
LGA    T   118_A      T   118_A    29.350     0    0.099   0.183    32.586    0.000    0.000
LGA    I   119_A      I   119_A    22.948     0    0.542   1.463    25.272    0.000    0.000
LGA    G   120_A      G   120_A    22.240     0    0.686   0.686    22.360    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):    14.607         14.563                 15.148           20.984   16.694

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     30    2.31    28.846    26.388     1.246

LGA_LOCAL      RMSD:   2.307  Number of atoms:   30  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.371  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  14.607  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.138001 * X  +  -0.098439 * Y  +   0.985528 * Z  + -11.048086
  Y_new =  -0.832908 * X  +   0.549962 * Y  +  -0.061697 * Z  +  46.506813
  Z_new =  -0.535930 * X  +  -0.829368 * Y  +  -0.157886 * Z  +   8.749022 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.734990  0.565609 -1.758914   [DEG:  -99.4076   32.4070 -100.7784 ]
ZXZ:  1.508275  1.729346 -2.567900   [DEG:   86.4178   99.0842 -147.1298 ]
 
# END of job
