
#######################################################
#                                                     #
#                        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  110 (  887),  selected  104 , name one
# Molecule2: number of CA atoms  151 ( 1194),  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:    33      47_A - 79_A        4.81    35.83
  LCS_AVERAGE:     19.40

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      32_A - 54_A        1.89    38.15
  LONGEST_CONTINUOUS_SEGMENT:    23      33_A - 55_A        1.87    37.80
  LONGEST_CONTINUOUS_SEGMENT:    23      51_A - 73_A        1.68    36.99
  LONGEST_CONTINUOUS_SEGMENT:    23      89_A - 111_A       1.79    53.50
  LCS_AVERAGE:     11.60

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      90_A - 110_A       0.99    54.62
  LCS_AVERAGE:      8.90

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     Q    11_A     Q    11_A      3   11   16      3    3    3    5    8   10   11   11   12   14   14   15   15   17   19   19   21   23   25   26 
LCS_GDT     A    12_A     A    12_A      4   11   16      3    4    4    5    9   10   11   11   12   14   14   15   17   18   19   21   23   23   25   26 
LCS_GDT     V    13_A     V    13_A      9   11   16      3    8    8    9    9   10   11   11   12   14   14   15   17   18   19   21   23   23   25   26 
LCS_GDT     E    14_A     E    14_A      9   11   16      3    8    8    9    9   10   11   11   12   14   14   15   17   18   19   21   23   23   25   26 
LCS_GDT     D    15_A     D    15_A      9   11   16      5    8    8    9    9   10   11   11   12   14   14   15   17   18   19   21   23   23   25   26 
LCS_GDT     F    16_A     F    16_A      9   11   16      5    8    8    9    9   10   11   11   12   14   14   15   17   18   19   21   23   23   25   26 
LCS_GDT     L    17_A     L    17_A      9   11   16      5    8    8    9    9   10   11   11   12   14   14   15   17   18   19   21   23   23   25   26 
LCS_GDT     R    18_A     R    18_A      9   11   16      5    8    8    9    9   10   11   11   12   14   14   15   17   18   19   21   23   23   25   26 
LCS_GDT     V    19_A     V    19_A      9   11   16      5    8    8    9    9   10   11   11   12   14   14   15   17   18   19   21   23   23   25   26 
LCS_GDT     H    20_A     H    20_A      9   11   16      5    8    8    9    9   10   11   11   12   14   14   15   17   17   19   21   23   23   25   26 
LCS_GDT     S    21_A     S    21_A      9   11   16      5    5    8    9    9   10   11   11   12   13   14   15   15   15   16   17   20   21   23   25 
LCS_GDT     E    22_A     E    22_A      6    9   16      5    5    8    8    9    9   10   10   12   14   14   15   15   17   19   19   22   25   30   32 
LCS_GDT     L    23_A     L    23_A      6    9   16      5    5    8    8    9    9   10   11   12   14   14   18   20   25   28   29   30   30   31   32 
LCS_GDT     V    24_A     V    24_A      6    9   30      5    5    8    8    9    9   10   10   11   14   14   15   17   18   20   23   29   30   31   32 
LCS_GDT     H    25_A     H    25_A      6    9   31      5    5    8    8    9    9   10   11   12   14   14   15   17   18   28   29   30   31   31   32 
LCS_GDT     R    26_A     R    26_A      6    9   31      5    5    8    8    9    9   11   16   21   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     L    27_A     L    27_A      6    9   31      5    5    8    8    9    9   10   11   15   20   25   27   28   29   30   30   30   31   31   32 
LCS_GDT     A    28_A     A    28_A      4    9   31      4    4    4    7    9    9   11   16   21   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     G    29_A     G    29_A      4    8   31      4    4    4    7    8    9   10   11   14   23   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     D    30_A     D    30_A      4    5   31      3    4    5    5    6    7   11   13   18   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     P    31_A     P    31_A      4    5   31      3    4    5    5    6    7   11   16   22   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     P    32_A     P    32_A      4   23   31      3    4    5   14   15   18   20   23   23   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     D    33_A     D    33_A     20   23   31     13   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     E    34_A     E    34_A     20   23   31     13   17   19   20   20   21   22   23   23   23   24   27   28   29   30   30   30   31   31   32 
LCS_GDT     L    35_A     L    35_A     20   23   31     13   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     F    36_A     F    36_A     20   23   31     13   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     Q    37_A     Q    37_A     20   23   31     13   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     R    38_A     R    38_A     20   23   31     13   17   19   20   20   21   22   23   23   23   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     L    39_A     L    39_A     20   23   31     13   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     D    40_A     D    40_A     20   23   31     13   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     R    41_A     R    41_A     20   23   31     13   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     F    42_A     F    42_A     20   23   31     13   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     V    43_A     V    43_A     20   23   31     13   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     T    44_A     T    44_A     20   23   31     13   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     D    45_A     D    45_A     20   23   31     13   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   30   31   31   32 
LCS_GDT     A    46_A     A    46_A     20   23   32     11   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   31   31   31   32 
LCS_GDT     I    47_A     I    47_A     20   23   33     11   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   31   31   31   32 
LCS_GDT     I    48_A     I    48_A     20   23   33      9   17   19   20   20   21   22   23   23   24   26   27   28   29   30   30   31   31   31   33 
LCS_GDT     E    49_A     E    49_A     20   23   33      9   17   19   20   20   21   22   23   23   24   27   28   28   29   30   30   32   32   32   33 
LCS_GDT     G    50_A     G    50_A     20   23   33      3   15   19   20   20   21   22   23   26   27   27   28   28   29   30   31   32   32   32   33 
LCS_GDT     N    51_A     N    51_A     20   23   33      5    9   15   20   21   23   24   24   26   27   27   28   28   29   30   31   32   32   32   33 
LCS_GDT     P    52_A     P    52_A     20   23   33      5   17   19   20   21   23   24   24   26   27   27   28   28   29   30   31   32   32   33   34 
LCS_GDT     E    53_A     E    53_A      5   23   33      5    5   15   18   21   23   24   24   26   27   27   28   28   29   30   31   32   32   33   34 
LCS_GDT     R    54_A     R    54_A     17   23   33      8   12   16   18   21   23   24   24   26   27   27   28   28   29   30   31   32   32   33   34 
LCS_GDT     R    55_A     R    55_A     17   23   33      8   13   16   18   21   23   24   24   26   27   27   28   28   29   30   31   32   32   33   34 
LCS_GDT     D    56_A     D    56_A     17   23   33      8   15   16   18   21   23   24   24   26   27   27   28   28   29   30   31   32   32   33   35 
LCS_GDT     E    57_A     E    57_A     17   23   33      8   15   16   18   21   23   24   24   26   27   27   28   28   29   30   31   32   32   33   34 
LCS_GDT     I    58_A     I    58_A     17   23   33      8   15   16   18   21   23   24   24   26   27   27   28   28   29   30   31   32   32   33   35 
LCS_GDT     K    59_A     K    59_A     17   23   33      8   15   16   18   21   23   24   24   26   27   27   28   28   29   30   31   32   32   33   35 
LCS_GDT     A    60_A     A    60_A     17   23   33      8   15   16   18   21   23   24   24   26   27   27   28   28   29   30   31   32   32   33   35 
LCS_GDT     D    61_A     D    61_A     17   23   33      8   15   16   18   21   23   24   24   26   27   27   28   28   29   30   31   32   32   33   35 
LCS_GDT     L    62_A     L    62_A     17   23   33      8   15   16   18   21   23   24   24   26   27   27   28   28   29   30   31   32   32   33   35 
LCS_GDT     A    63_A     A    63_A     17   23   33      8   15   16   18   21   23   24   24   26   27   27   28   28   29   30   31   32   35   38   40 
LCS_GDT     R    64_A     R    64_A     17   23   33      8   15   16   18   21   23   24   24   26   27   27   28   28   29   30   31   32   32   35   39 
LCS_GDT     A    65_A     A    65_A     17   23   33      8   15   16   18   21   23   24   24   26   27   27   28   28   29   30   31   32   32   34   39 
LCS_GDT     A    66_A     A    66_A     17   23   33      8   15   16   18   21   23   24   24   26   27   27   28   28   29   30   31   34   37   38   41 
LCS_GDT     R    67_A     R    67_A     17   23   33      5   15   16   18   21   23   24   24   26   27   27   28   28   29   30   33   37   37   39   42 
LCS_GDT     V    68_A     V    68_A     17   23   33      4   15   16   18   21   23   24   24   26   27   27   28   28   29   30   33   35   37   39   41 
LCS_GDT     F    69_A     F    69_A     17   23   33      6   15   16   18   21   23   24   24   26   27   27   28   28   29   30   33   37   37   40   42 
LCS_GDT     G    70_A     G    70_A     17   23   33      6   15   16   18   21   23   24   24   26   27   27   28   29   30   32   35   38   39   40   42 
LCS_GDT     E    71_A     E    71_A     16   23   33      5    8   14   18   21   23   24   24   26   27   27   28   29   30   32   35   38   39   40   42 
LCS_GDT     A    72_A     A    72_A     14   23   33      5    9   15   18   21   23   24   24   26   27   27   28   29   30   32   35   38   39   40   42 
LCS_GDT     L    73_A     L    73_A      9   23   33      5    7   10   15   19   23   24   24   26   27   27   28   29   30   32   35   38   39   40   42 
LCS_GDT     E    74_A     E    74_A      4   17   33      3    3    4    8    9   15   19   23   26   27   27   28   29   30   32   35   38   39   40   42 
LCS_GDT     R    75_A     R    75_A      4   14   33      3    3    6   10   11   15   21   24   26   27   27   28   29   30   32   35   38   39   40   42 
LCS_GDT     D    76_A     D    76_A      3   14   33      3    3    3   10   14   19   24   24   26   27   27   28   29   30   32   35   38   39   40   42 
LCS_GDT     I    77_A     I    77_A      3    5   33      3    3    3    4    5    8    9   11   16   27   27   28   28   29   32   35   38   39   40   42 
LCS_GDT     T    78_A     T    78_A      3    6   33      3    3    4    4    6    6    9   12   20   23   24   26   28   29   30   32   35   39   39   42 
LCS_GDT     T    79_A     T    79_A      4    6   33      3    4    5    5    6    7    9   12   23   23   24   25   26   28   30   32   34   36   40   42 
LCS_GDT     P    80_A     P    80_A      4    6   32      3    4    5    5    6    7    8   11   11   17   20   22   24   26   27   29   31   32   34   36 
LCS_GDT     E    81_A     E    81_A      4    6   23      3    4    5    5    6    7    9   11   16   18   20   22   24   26   27   29   31   35   38   40 
LCS_GDT     D    82_A     D    82_A      4    6   23      3    4    5    5    6    7   10   12   19   21   24   25   26   28   32   35   38   39   40   42 
LCS_GDT     F    83_A     F    83_A      4    6   30      3    4    5    6    7    8    9   12   16   18   23   26   29   30   32   35   38   39   40   42 
LCS_GDT     N    84_A     N    84_A      5    6   30      4    5    5    5    6    7    9   12   15   17   20   24   29   30   32   35   38   39   40   42 
LCS_GDT     A    85_A     A    85_A      5    5   30      4    5    5    5    6    7    8   11   14   18   23   26   29   30   32   35   38   39   40   42 
LCS_GDT     F    86_A     F    86_A      5    5   30      4    5    5    5    6    7    8    9   11   17   23   25   26   28   30   33   38   39   40   42 
LCS_GDT     L    87_A     L    87_A      5    5   30      4    5    5    5    6    7    8    9   11   11   13   25   26   28   32   34   38   39   40   42 
LCS_GDT     R    88_A     R    88_A      5    5   30      3    5    5    8   13   15   17   22   22   22   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     E    89_A     E    89_A      4   23   30      3    4    4    5    6    6   14   18   23   23   24   25   26   28   28   34   38   39   40   42 
LCS_GDT     L    90_A     L    90_A     21   23   30      3   17   20   20   20   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     G    91_A     G    91_A     21   23   30      5   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     P    92_A     P    92_A     21   23   30     12   18   20   20   21   22   22   22   23   23   24   25   26   28   31   35   37   39   40   42 
LCS_GDT     E    93_A     E    93_A     21   23   30     11   18   20   20   21   22   22   22   23   23   24   25   26   28   29   30   32   32   36   41 
LCS_GDT     A    94_A     A    94_A     21   23   30     12   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     V    95_A     V    95_A     21   23   30     12   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     E    96_A     E    96_A     21   23   30     12   18   20   20   21   22   22   22   23   23   24   25   26   29   32   35   38   39   40   42 
LCS_GDT     L    97_A     L    97_A     21   23   30     12   18   20   20   21   22   22   22   23   23   24   25   26   28   32   35   38   39   40   42 
LCS_GDT     V    98_A     V    98_A     21   23   30     12   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     S    99_A     S    99_A     21   23   30     12   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     T   100_A     T   100_A     21   23   30     12   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     F   101_A     F   101_A     21   23   30     12   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     T   102_A     T   102_A     21   23   30     12   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     Q   103_A     Q   103_A     21   23   30     12   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     Q   104_A     Q   104_A     21   23   30     12   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     F   105_A     F   105_A     21   23   30     11   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     V   106_A     V   106_A     21   23   30      7   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     D   107_A     D   107_A     21   23   30     10   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     V   108_A     V   108_A     21   23   30     11   18   20   20   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     I   109_A     I   109_A     21   23   30     10   18   20   20   21   22   22   22   23   23   24   25   28   30   32   35   38   39   40   42 
LCS_GDT     R   110_A     R   110_A     21   23   30      3    6    9   18   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     G   111_A     G   111_A      5   23   30      3    4    9   19   21   22   22   22   23   23   24   26   29   30   32   35   38   39   40   42 
LCS_GDT     D   112_A     D   112_A      3    4   30      3    3    4    4    4    5    9   10   13   18   23   26   29   30   32   35   38   39   40   42 
LCS_GDT     P   113_A     P   113_A      3    4   30      3    3    4    4    4    5    9    9   10   13   16   18   20   26   31   34   38   39   40   42 
LCS_GDT     Q   114_A     Q   114_A      3    4   29      0    3    3    3    4    5    6    6    8    8    9   12   12   14   30   33   36   39   40   42 
LCS_AVERAGE  LCS_A:  13.30  (   8.90   11.60   19.40 )

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     18     20     20     21     23     24     24     26     27     27     28     29     30     32     35     38     39     40     42 
GDT PERCENT_AT   8.61  11.92  13.25  13.25  13.91  15.23  15.89  15.89  17.22  17.88  17.88  18.54  19.21  19.87  21.19  23.18  25.17  25.83  26.49  27.81
GDT RMS_LOCAL    0.27   0.48   0.60   0.60   1.22   1.68   2.03   2.03   2.49   2.74   2.67   2.91   4.81   4.89   5.09   5.48   5.80   5.93   6.03   6.41
GDT RMS_ALL_AT  37.66  54.48  54.79  54.79  53.71  36.99  37.01  37.01  36.79  36.41  36.79  36.43  41.08  41.29  41.06  40.73  41.27  41.34  41.11  41.00

# Checking swapping
#   possible swapping detected:  E    14_A      E    14_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    22_A      E    22_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  F    36_A      F    36_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  D    45_A      D    45_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  E    71_A      E    71_A
#   possible swapping detected:  D    76_A      D    76_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:  E    96_A      E    96_A
#   possible swapping detected:  D   112_A      D   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    11_A      Q    11_A    54.490     0    0.449   1.623    56.682    0.000    0.000
LGA    A    12_A      A    12_A    59.498     0    0.382   0.376    61.753    0.000    0.000
LGA    V    13_A      V    13_A    54.632     0    0.274   1.259    55.890    0.000    0.000
LGA    E    14_A      E    14_A    54.291     0    0.212   0.895    57.183    0.000    0.000
LGA    D    15_A      D    15_A    60.847     0    0.028   0.247    64.443    0.000    0.000
LGA    F    16_A      F    16_A    59.769     0    0.000   1.447    60.611    0.000    0.000
LGA    L    17_A      L    17_A    56.495     0    0.065   0.112    58.296    0.000    0.000
LGA    R    18_A      R    18_A    61.122     0    0.107   1.404    65.960    0.000    0.000
LGA    V    19_A      V    19_A    66.737     0    0.071   1.115    70.295    0.000    0.000
LGA    H    20_A      H    20_A    63.974     0    0.549   1.035    64.289    0.000    0.000
LGA    S    21_A      S    21_A    65.398     0    0.045   0.604    67.733    0.000    0.000
LGA    E    22_A      E    22_A    67.478     0    0.159   0.834    73.132    0.000    0.000
LGA    L    23_A      L    23_A    64.715     0    0.214   1.392    66.417    0.000    0.000
LGA    V    24_A      V    24_A    62.332     0    0.063   0.918    63.234    0.000    0.000
LGA    H    25_A      H    25_A    61.526     0    0.241   0.273    65.713    0.000    0.000
LGA    R    26_A      R    26_A    62.700     0    0.291   1.469    67.620    0.000    0.000
LGA    L    27_A      L    27_A    61.434     0    0.061   1.361    63.744    0.000    0.000
LGA    A    28_A      A    28_A    55.955     0    0.000   0.018    57.842    0.000    0.000
LGA    G    29_A      G    29_A    58.770     0    0.199   0.199    58.936    0.000    0.000
LGA    D    30_A      D    30_A    58.741     0    0.631   0.577    59.992    0.000    0.000
LGA    P    31_A      P    31_A    58.328     0    0.093   0.110    58.561    0.000    0.000
LGA    P    32_A      P    32_A    54.235     0    0.605   0.666    58.882    0.000    0.000
LGA    D    33_A      D    33_A    48.138     0    0.602   1.288    50.423    0.000    0.000
LGA    E    34_A      E    34_A    45.493     0    0.000   1.036    46.997    0.000    0.000
LGA    L    35_A      L    35_A    43.585     0    0.070   1.385    45.916    0.000    0.000
LGA    F    36_A      F    36_A    40.457     0    0.058   1.479    42.989    0.000    0.000
LGA    Q    37_A      Q    37_A    38.527     0    0.024   0.258    44.672    0.000    0.000
LGA    R    38_A      R    38_A    36.465     0    0.039   1.063    42.995    0.000    0.000
LGA    L    39_A      L    39_A    33.872     0    0.067   1.368    36.174    0.000    0.000
LGA    D    40_A      D    40_A    31.215     0    0.059   0.678    34.933    0.000    0.000
LGA    R    41_A      R    41_A    29.090     0    0.056   1.154    37.976    0.000    0.000
LGA    F    42_A      F    42_A    26.980     0    0.018   1.275    29.174    0.000    0.000
LGA    V    43_A      V    43_A    23.960     0    0.045   0.124    26.396    0.000    0.000
LGA    T    44_A      T    44_A    21.679     0    0.076   1.070    24.089    0.000    0.000
LGA    D    45_A      D    45_A    19.594     0    0.068   1.110    24.056    0.000    0.000
LGA    A    46_A      A    46_A    16.949     0    0.000   0.029    18.551    0.000    0.000
LGA    I    47_A      I    47_A    13.340     0    0.110   0.154    17.705    0.000    0.000
LGA    I    48_A      I    48_A    11.579     0    0.000   1.333    17.698    1.310    0.655
LGA    E    49_A      E    49_A     9.684     0    0.156   0.771    16.133    3.810    1.693
LGA    G    50_A      G    50_A     7.560     0    0.095   0.095     8.541   19.643   19.643
LGA    N    51_A      N    51_A     1.932     0    0.606   0.693     7.895   69.762   45.060
LGA    P    52_A      P    52_A     0.941     0    0.128   0.459     2.505   75.476   73.197
LGA    E    53_A      E    53_A     2.473     0    0.217   0.442     4.838   59.524   53.122
LGA    R    54_A      R    54_A     2.868     0    0.399   0.467     6.724   62.976   40.649
LGA    R    55_A      R    55_A     2.730     0    0.031   0.824     5.912   61.190   45.844
LGA    D    56_A      D    56_A     2.017     0    0.080   0.520     4.453   70.952   58.929
LGA    E    57_A      E    57_A     0.856     0    0.054   0.879     2.783   92.976   79.365
LGA    I    58_A      I    58_A     1.007     0    0.042   0.707     2.307   88.214   80.595
LGA    K    59_A      K    59_A     0.489     0    0.086   0.655     2.323   95.238   81.164
LGA    A    60_A      A    60_A     1.072     0    0.133   0.150     1.429   83.690   83.238
LGA    D    61_A      D    61_A     1.469     0    0.018   0.160     2.295   79.286   73.036
LGA    L    62_A      L    62_A     1.207     0    0.031   0.656     3.333   83.690   74.464
LGA    A    63_A      A    63_A     0.804     0    0.042   0.044     1.689   83.810   85.143
LGA    R    64_A      R    64_A     2.014     0    0.095   1.478     5.709   64.881   47.922
LGA    A    65_A      A    65_A     2.534     0    0.027   0.027     2.796   60.952   60.190
LGA    A    66_A      A    66_A     1.459     0    0.074   0.067     1.740   81.548   81.524
LGA    R    67_A      R    67_A     1.436     0    0.105   1.198     5.182   79.286   66.840
LGA    V    68_A      V    68_A     2.384     0    0.078   0.110     3.461   68.810   60.748
LGA    F    69_A      F    69_A     1.719     0    0.107   0.533     4.290   77.143   61.472
LGA    G    70_A      G    70_A     0.727     0    0.031   0.031     1.201   85.952   85.952
LGA    E    71_A      E    71_A     1.593     0    0.109   0.954     3.465   79.286   71.376
LGA    A    72_A      A    72_A     0.600     0    0.359   0.356     3.675   74.286   75.714
LGA    L    73_A      L    73_A     2.883     0    0.084   0.172     6.274   44.643   56.131
LGA    E    74_A      E    74_A     6.956     0    0.708   0.551    12.382   19.762    9.471
LGA    R    75_A      R    75_A     5.799     0    0.283   1.302    10.521   19.286   11.991
LGA    D    76_A      D    76_A     5.079     0    0.289   1.572     7.513   36.667   28.512
LGA    I    77_A      I    77_A     6.020     0    0.122   0.145    11.985   17.619    9.405
LGA    T    78_A      T    78_A     7.805     0    0.000   1.094    11.081    6.429    8.027
LGA    T    79_A      T    79_A    10.036     0    0.432   0.566    12.317    1.190    0.952
LGA    P    80_A      P    80_A    16.254     0    0.027   0.379    18.205    0.000    0.000
LGA    E    81_A      E    81_A    17.672     0    0.145   0.968    24.079    0.000    0.000
LGA    D    82_A      D    82_A    11.616     0    0.052   0.356    13.392    0.000    0.595
LGA    F    83_A      F    83_A    12.928     0    0.585   0.614    17.837    0.000    0.000
LGA    N    84_A      N    84_A    18.285     0    0.596   0.847    23.866    0.000    0.000
LGA    A    85_A      A    85_A    15.780     0    0.072   0.079    18.044    0.000    0.000
LGA    F    86_A      F    86_A    19.593     0    0.066   1.432    26.423    0.000    0.000
LGA    L    87_A      L    87_A    24.185     0    0.573   0.550    29.100    0.000    0.000
LGA    R    88_A      R    88_A    21.791     0    0.606   1.182    23.178    0.000    0.000
LGA    E    89_A      E    89_A    18.696     0    0.005   0.901    19.654    0.000    0.000
LGA    L    90_A      L    90_A    22.020     0    0.456   0.592    24.910    0.000    0.000
LGA    G    91_A      G    91_A    22.452     0    0.029   0.029    22.889    0.000    0.000
LGA    P    92_A      P    92_A    24.069     0    0.082   0.461    24.962    0.000    0.000
LGA    E    93_A      E    93_A    21.448     0    0.041   1.025    22.534    0.000    0.000
LGA    A    94_A      A    94_A    22.470     0    0.073   0.088    24.600    0.000    0.000
LGA    V    95_A      V    95_A    25.485     0    0.000   0.040    28.051    0.000    0.000
LGA    E    96_A      E    96_A    26.104     0    0.024   1.154    27.593    0.000    0.000
LGA    L    97_A      L    97_A    25.895     0    0.035   1.362    29.083    0.000    0.000
LGA    V    98_A      V    98_A    29.534     0    0.056   0.118    32.980    0.000    0.000
LGA    S    99_A      S    99_A    32.501     0    0.102   0.106    35.236    0.000    0.000
LGA    T   100_A      T   100_A    32.256     0    0.013   0.057    35.500    0.000    0.000
LGA    F   101_A      F   101_A    35.007     0    0.043   0.304    39.959    0.000    0.000
LGA    T   102_A      T   102_A    38.851     0    0.070   0.848    42.366    0.000    0.000
LGA    Q   103_A      Q   103_A    40.945     0    0.037   0.120    45.922    0.000    0.000
LGA    Q   104_A      Q   104_A    41.115     0    0.049   0.077    44.778    0.000    0.000
LGA    F   105_A      F   105_A    45.083     0    0.036   1.412    49.496    0.000    0.000
LGA    V   106_A      V   106_A    49.506     0    0.000   0.027    52.456    0.000    0.000
LGA    D   107_A      D   107_A    49.130     0    0.090   1.384    52.183    0.000    0.000
LGA    V   108_A      V   108_A    50.724     0    0.019   0.061    55.201    0.000    0.000
LGA    I   109_A      I   109_A    56.524     0    0.047   0.152    60.349    0.000    0.000
LGA    R   110_A      R   110_A    59.404     0    0.026   1.339    61.546    0.000    0.000
LGA    G   111_A      G   111_A    57.131     0    0.301   0.301    58.119    0.000    0.000
LGA    D   112_A      D   112_A    56.324     0    0.424   1.212    57.573    0.000    0.000
LGA    P   113_A      P   113_A    55.586     0    0.623   0.685    57.032    0.000    0.000
LGA    Q   114_A      Q   114_A    53.984     0    0.580   0.528    56.330    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     837    837  100.00               151
SUMMARY(RMSD_GDC):    28.642         28.623                 29.255           12.247   10.812

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  110  151    4.0     24    2.03    16.060    14.979     1.128

LGA_LOCAL      RMSD:   2.028  Number of atoms:   24  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  37.009  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  28.642  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.785754 * X  +   0.261540 * Y  +   0.560525 * Z  +  23.250732
  Y_new =   0.618362 * X  +   0.310427 * Y  +   0.721986 * Z  + -351.994476
  Z_new =   0.014826 * X  +   0.913910 * Y  +  -0.405645 * Z  + -22.558098 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.474850 -0.014826  1.988530   [DEG:  141.7984   -0.8495  113.9344 ]
ZXZ:  2.481430  1.988481  0.016221   [DEG:  142.1755  113.9316    0.9294 ]
 
# END of job
