
#######################################################
#                                                     #
#                        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  107 (  910),  selected  101 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  101 , 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:    38      61_A - 98_A        4.97    24.25
  LONGEST_CONTINUOUS_SEGMENT:    38      62_A - 99_A        4.95    24.36
  LCS_AVERAGE:     31.43

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      65_A - 87_A        1.90    25.06
  LONGEST_CONTINUOUS_SEGMENT:    23      66_A - 88_A        1.61    25.29
  LCS_AVERAGE:     14.70

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      66_A - 86_A        0.97    25.21
  LCS_AVERAGE:     11.04

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  101
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    17_A     N    17_A      3    3   11      3    6    8    9   12   15   16   16   16   17   19   25   25   25   28   31   33   36   38   42 
LCS_GDT     R    18_A     R    18_A      3    5   12      3    3    8   10   12   15   16   16   16   18   23   25   25   26   30   32   36   42   43   45 
LCS_GDT     K    19_A     K    19_A      5    8   14      3    6    8    9   12   15   16   16   16   18   19   25   25   26   30   33   37   42   45   50 
LCS_GDT     A    20_A     A    20_A      6    8   15      4    5    6    7    9   10   11   13   16   17   19   23   25   26   30   38   41   46   49   50 
LCS_GDT     I    21_A     I    21_A      6    8   35      4    5    6    7    9   10   11   13   16   17   19   23   25   28   31   39   43   46   49   50 
LCS_GDT     N    22_A     N    22_A      6    8   35      4    5    6    7    8    9   11   13   16   17   19   23   27   34   37   41   43   46   49   50 
LCS_GDT     F    23_A     F    23_A      6    8   35      4    5    6    7    8    9   11   13   16   18   22   26   28   34   37   41   43   46   49   50 
LCS_GDT     D    24_A     D    24_A      6   11   35      3    5    6    7    8    9   11   16   23   27   28   29   33   34   38   41   43   46   49   50 
LCS_GDT     L    25_A     L    25_A     10   12   35      7    9    9   10   11   12   14   16   20   23   26   29   30   33   37   41   43   46   49   50 
LCS_GDT     S    26_A     S    26_A     10   12   36      7    9    9   10   11   12   14   19   23   27   28   29   33   35   38   41   43   46   49   50 
LCS_GDT     T    27_A     T    27_A     10   12   36      7    9    9   10   11   12   14   15   20   27   28   29   33   35   38   41   43   46   49   50 
LCS_GDT     K    28_A     K    28_A     10   12   36      7    9    9   10   11   12   17   25   25   27   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     S    29_A     S    29_A     10   12   36      7    9    9   10   11   21   22   25   25   27   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     L    30_A     L    30_A     10   12   36      7    9    9   10   11   12   16   25   25   27   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     E    31_A     E    31_A     10   12   36      7    9    9   10   11   12   22   25   25   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     K    32_A     K    32_A     10   22   36      3    9    9   10   16   21   22   25   25   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     Y    33_A     Y    33_A     10   22   36      3    9    9   10   13   21   22   25   25   27   28   32   34   35   38   41   43   46   49   50 
LCS_GDT     F    34_A     F    34_A     10   22   36      3    5    9   10   14   21   22   25   25   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     K    35_A     K    35_A      9   22   36      5    5    8   12   18   19   21   23   26   27   28   29   33   35   38   39   41   44   46   49 
LCS_GDT     D    36_A     D    36_A     18   22   36      5   13   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     T    37_A     T    37_A     18   22   36      5   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     R    38_A     R    38_A     18   22   36     10   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     E    39_A     E    39_A     18   22   36      5   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     P    40_A     P    40_A     18   22   36      5   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     Y    41_A     Y    41_A     18   22   36     10   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     S    42_A     S    42_A     18   22   36     10   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     L    43_A     L    43_A     18   22   36      7   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     I    44_A     I    44_A     18   22   36      5   14   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     K    45_A     K    45_A     18   22   36     10   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     K    46_A     K    46_A     18   22   36     10   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     F    47_A     F    47_A     18   22   36     10   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     M    48_A     M    48_A     18   22   36     10   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     L    49_A     L    49_A     18   22   36     10   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     E    50_A     E    50_A     18   22   36     10   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     N    51_A     N    51_A     18   22   36     10   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     G    52_A     G    52_A     18   22   36      6   14   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     F    53_A     F    53_A     18   22   36      5   15   17   18   18   21   22   25   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     E    54_A     E    54_A      4   21   36      3    4    5   10   17   20   21   24   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     H    55_A     H    55_A      4   21   36      3    4    6   10   17   20   21   24   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     R    56_A     R    56_A      3   14   36      3    3    4    6   11   17   21   24   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     Q    57_A     Q    57_A      4    7   36      3    4    5    6   11   15   19   24   26   28   28   31   34   35   37   41   43   46   49   50 
LCS_GDT     Y    58_A     Y    58_A      4    7   36      3    4    5    8   12   15   19   24   26   28   28   31   34   35   37   41   43   46   49   50 
LCS_GDT     S    59_A     S    59_A      4    8   36      3    4    5    8   12   15   18   24   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     G    60_A     G    60_A      6    8   36      4    5    6    8   12   15   19   24   26   28   29   32   34   35   38   41   43   46   49   50 
LCS_GDT     Y    61_A     Y    61_A      6    8   38      4    5    6    7   10   13   16   18   22   23   25   29   34   35   37   41   43   46   49   50 
LCS_GDT     T    62_A     T    62_A      6    8   38      4    5    6    7   10   15   16   19   22   23   26   29   32   33   35   38   42   46   49   50 
LCS_GDT     S    63_A     S    63_A      6    8   38      4    5    6    7   10   13   16   19   22   23   26   31   32   33   35   38   40   43   46   50 
LCS_GDT     K    64_A     K    64_A      6    8   38      3    5    6    7   10   13   14   18   22   23   25   25   28   31   35   35   40   43   44   45 
LCS_GDT     E    65_A     E    65_A      6   23   38      3    5    7    9   12   17   18   19   26   29   29   31   32   33   35   38   40   43   44   47 
LCS_GDT     P    66_A     P    66_A     21   23   38      9   15   19   21   23   25   26   27   27   29   30   32   34   36   36   38   40   43   46   50 
LCS_GDT     I    67_A     I    67_A     21   23   38      7   18   19   21   23   25   26   27   27   29   30   32   34   36   36   38   42   46   49   50 
LCS_GDT     N    68_A     N    68_A     21   23   38      4   18   19   21   23   25   26   27   27   29   30   32   34   36   36   38   42   46   49   50 
LCS_GDT     E    69_A     E    69_A     21   23   38     11   18   19   21   23   25   26   27   27   29   30   32   34   36   37   40   42   46   49   50 
LCS_GDT     R    70_A     R    70_A     21   23   38     11   18   19   21   23   25   26   27   27   29   30   32   34   36   37   41   43   46   49   50 
LCS_GDT     R    71_A     R    71_A     21   23   38     11   18   19   21   23   25   26   27   27   29   30   32   34   36   37   41   43   46   49   50 
LCS_GDT     V    72_A     V    72_A     21   23   38     11   18   19   21   23   25   26   27   27   29   30   32   34   36   38   41   43   46   49   50 
LCS_GDT     I    73_A     I    73_A     21   23   38     11   18   19   21   23   25   26   27   27   29   30   32   34   36   38   41   43   46   49   50 
LCS_GDT     R    74_A     R    74_A     21   23   38     11   18   19   21   23   25   26   27   27   29   30   32   34   36   38   41   43   45   48   50 
LCS_GDT     I    75_A     I    75_A     21   23   38     11   18   19   21   23   25   26   27   27   29   30   32   34   36   38   41   43   45   48   50 
LCS_GDT     I    76_A     I    76_A     21   23   38     11   18   19   21   23   25   26   27   27   29   30   32   34   36   38   39   41   44   46   48 
LCS_GDT     N    77_A     N    77_A     21   23   38     11   18   19   21   23   25   26   27   27   29   30   32   34   36   37   39   41   43   44   47 
LCS_GDT     K    78_A     K    78_A     21   23   38     11   18   19   21   23   25   26   27   27   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     L    79_A     L    79_A     21   23   38     11   18   19   21   23   25   26   27   27   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     T    80_A     T    80_A     21   23   38      8   18   19   21   23   25   26   27   27   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     K    81_A     K    81_A     21   23   38      8   18   19   21   23   25   26   27   27   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     K    82_A     K    82_A     21   23   38      7   18   19   21   23   25   26   27   27   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     F    83_A     F    83_A     21   23   38      9   18   19   21   23   25   26   27   27   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     T    84_A     T    84_A     21   23   38      9   18   19   21   23   25   26   27   27   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     W    85_A     W    85_A     21   23   38      5    8   18   21   23   25   26   27   27   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     L    86_A     L    86_A     21   23   38      5    8   17   21   23   25   26   27   27   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     G    87_A     G    87_A     10   23   38      4    6    9   17   23   25   26   27   27   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     E    88_A     E    88_A      9   23   38      4    6    9   10   12   17   23   27   27   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     C    89_A     C    89_A      8   16   38      4    6    8   10   12   15   16   21   26   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     V    90_A     V    90_A      8   14   38      3    5    8   10   12   15   16   22   25   28   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     K    91_A     K    91_A      3   13   38      3    3    4    4    6   11   14   22   25   28   30   32   33   36   36   37   37   41   42   45 
LCS_GDT     E    92_A     E    92_A      4   10   38      3    3    8   18   22   25   26   27   27   29   30   32   34   36   36   38   40   42   44   45 
LCS_GDT     F    93_A     F    93_A      4   10   38      3   10   15   19   23   25   26   27   27   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     D    94_A     D    94_A      7   10   38      4    6    7    8   20   24   26   27   27   29   30   32   34   36   36   38   40   43   44   45 
LCS_GDT     I    95_A     I    95_A      7   10   38      7   11   15   21   23   25   26   27   27   29   30   32   34   36   36   38   40   43   44   46 
LCS_GDT     T    96_A     T    96_A      7   10   38      4    6    7    8   10   11   21   27   27   29   30   32   34   36   36   38   40   43   46   50 
LCS_GDT     E    97_A     E    97_A      7   10   38      4    6    7    8   10   16   23   27   27   29   30   32   34   36   36   38   40   43   46   50 
LCS_GDT     I    98_A     I    98_A      7   10   38      4    6    7    8   10   11   13   16   21   29   30   31   34   36   36   38   40   43   46   50 
LCS_GDT     G    99_A     G    99_A      7   10   38      4    6    7    8   10   11   13   15   18   23   26   31   34   36   36   38   40   43   46   50 
LCS_GDT     E   100_A     E   100_A      7   10   37      3    5    7    8   10   11   13   16   20   25   30   31   34   36   36   38   40   43   44   45 
LCS_GDT     Q   101_A     Q   101_A      4   10   37      4    4    4    7    9   11   15   19   20   25   30   31   34   36   36   38   40   43   44   49 
LCS_GDT     Y   102_A     Y   102_A      4    9   37      4    4    4    6   10   12   15   19   20   22   23   26   28   29   31   37   39   41   46   50 
LCS_GDT     S   103_A     S   103_A      9   10   19      4    4    7   10   12   13   15   19   20   22   23   26   28   29   31   33   39   41   46   50 
LCS_GDT     L   104_A     L   104_A      9   10   19      5    8   10   11   12   13   15   17   20   22   23   26   28   29   31   33   39   41   45   49 
LCS_GDT     K   105_A     K   105_A      9   10   19      6    8   10   11   12   13   15   19   20   22   23   26   28   29   31   33   39   41   45   49 
LCS_GDT     E   106_A     E   106_A      9   10   19      6    8   10   11   12   13   15   19   20   22   23   26   28   29   31   33   34   38   39   44 
LCS_GDT     T   107_A     T   107_A      9   10   19      6    8   10   11   12   13   15   19   20   22   23   26   28   29   31   33   34   38   39   43 
LCS_GDT     I   108_A     I   108_A      9   10   19      6    8   10   11   12   13   15   19   20   22   23   26   28   29   31   33   34   38   43   44 
LCS_GDT     Q   109_A     Q   109_A      9   10   19      6    8   10   11   12   13   15   19   20   22   23   26   28   29   31   33   34   38   39   43 
LCS_GDT     D   110_A     D   110_A      9   10   19      6    8   10   11   12   13   15   19   20   22   23   26   28   29   31   33   34   38   39   43 
LCS_GDT     L   111_A     L   111_A      9   10   19      3    8   10   11   12   13   15   19   20   22   23   26   28   29   31   33   34   38   39   43 
LCS_GDT     C   112_A     C   112_A      4   10   19      3    4    4    4    5    9    9   13   15   19   22   26   28   29   31   33   34   36   37   42 
LCS_GDT     A   113_A     A   113_A      4    5   19      3    4    4    5   11   12   15   19   20   22   23   26   28   29   31   33   34   38   39   43 
LCS_GDT     K   114_A     K   114_A      4    5   19      3    5   10   11   12   13   15   19   20   22   23   26   28   29   31   33   34   38   39   43 
LCS_GDT     D   115_A     D   115_A      4    5   19      3    6   10   11   12   13   15   19   20   21   23   26   27   29   30   33   33   36   37   40 
LCS_GDT     F   116_A     F   116_A      4    5   19      3    5    7   11   12   13   15   19   20   22   23   26   28   29   30   33   33   36   37   40 
LCS_GDT     H   117_A     H   117_A      4    5   19      0    3    5   10   11   12   14   19   20   22   23   26   28   29   31   33   34   38   39   43 
LCS_AVERAGE  LCS_A:  19.06  (  11.04   14.70   31.43 )

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     18     19     21     23     25     26     27     27     29     30     32     34     36     38     41     43     46     49     50 
GDT PERCENT_AT  10.38  16.98  17.92  19.81  21.70  23.58  24.53  25.47  25.47  27.36  28.30  30.19  32.08  33.96  35.85  38.68  40.57  43.40  46.23  47.17
GDT RMS_LOCAL    0.30   0.61   0.70   0.97   1.33   1.59   1.75   1.96   1.96   2.37   2.86   3.05   4.08   4.36   4.90   5.45   5.64   6.22   6.46   6.56
GDT RMS_ALL_AT  24.92  25.20  25.10  25.21  25.47  25.54  25.61  25.61  25.61  25.42  25.43  25.39  24.97  24.95  22.73  21.03  21.30  20.42  20.35  20.53

# Checking swapping
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  Y    58_A      Y    58_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  Y   102_A      Y   102_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    17_A      N    17_A    17.663     0    0.669   1.040    20.839    0.000    0.000
LGA    R    18_A      R    18_A    15.534     0    0.609   1.631    23.310    0.000    0.000
LGA    K    19_A      K    19_A    15.427     0    0.629   1.073    16.766    0.000    0.000
LGA    A    20_A      A    20_A    20.628     0    0.165   0.218    22.391    0.000    0.000
LGA    I    21_A      I    21_A    24.410     0    0.021   0.648    26.478    0.000    0.000
LGA    N    22_A      N    22_A    30.497     0    0.517   0.744    32.345    0.000    0.000
LGA    F    23_A      F    23_A    35.414     0    0.147   1.295    38.079    0.000    0.000
LGA    D    24_A      D    24_A    40.968     0    0.109   0.241    44.755    0.000    0.000
LGA    L    25_A      L    25_A    44.888     0    0.671   0.597    48.835    0.000    0.000
LGA    S    26_A      S    26_A    48.096     0    0.078   0.096    48.726    0.000    0.000
LGA    T    27_A      T    27_A    52.268     0    0.057   0.144    56.076    0.000    0.000
LGA    K    28_A      K    28_A    52.711     0    0.030   0.570    53.436    0.000    0.000
LGA    S    29_A      S    29_A    45.792     0    0.058   0.063    48.204    0.000    0.000
LGA    L    30_A      L    30_A    45.662     0    0.062   1.315    47.337    0.000    0.000
LGA    E    31_A      E    31_A    51.392     0    0.146   1.055    57.575    0.000    0.000
LGA    K    32_A      K    32_A    48.018     0    0.058   0.280    49.009    0.000    0.000
LGA    Y    33_A      Y    33_A    42.448     0    0.458   1.293    44.419    0.000    0.000
LGA    F    34_A      F    34_A    45.556     0    0.227   1.235    46.473    0.000    0.000
LGA    K    35_A      K    35_A    47.268     0    0.656   1.106    49.088    0.000    0.000
LGA    D    36_A      D    36_A    46.839     0    0.115   1.099    47.843    0.000    0.000
LGA    T    37_A      T    37_A    42.584     0    0.100   0.145    45.522    0.000    0.000
LGA    R    38_A      R    38_A    40.785     0    0.136   0.878    53.132    0.000    0.000
LGA    E    39_A      E    39_A    37.754     0    0.024   1.189    39.429    0.000    0.000
LGA    P    40_A      P    40_A    32.947     0    0.048   0.303    37.566    0.000    0.000
LGA    Y    41_A      Y    41_A    31.075     0    0.045   1.268    34.843    0.000    0.000
LGA    S    42_A      S    42_A    30.083     0    0.038   0.641    32.463    0.000    0.000
LGA    L    43_A      L    43_A    26.643     0    0.063   0.168    32.021    0.000    0.000
LGA    I    44_A      I    44_A    22.116     0    0.075   0.603    24.226    0.000    0.000
LGA    K    45_A      K    45_A    21.622     0    0.030   0.067    26.268    0.000    0.000
LGA    K    46_A      K    46_A    20.361     0    0.017   1.137    26.514    0.000    0.000
LGA    F    47_A      F    47_A    16.387     0    0.056   1.226    19.167    0.000    0.000
LGA    M    48_A      M    48_A    13.561     0    0.019   0.541    15.543    0.000    0.000
LGA    L    49_A      L    49_A    13.096     0    0.087   1.269    18.311    0.000    0.000
LGA    E    50_A      E    50_A    12.528     0    0.138   1.232    19.454    0.000    0.000
LGA    N    51_A      N    51_A     9.812     0    0.169   0.427    10.957    0.238    0.238
LGA    G    52_A      G    52_A    10.593     0    0.136   0.136    11.979    0.119    0.119
LGA    F    53_A      F    53_A    11.804     0    0.209   1.293    15.150    0.000    0.000
LGA    E    54_A      E    54_A    14.523     0    0.534   0.828    18.418    0.000    0.000
LGA    H    55_A      H    55_A    19.009     0    0.561   1.043    25.193    0.000    0.000
LGA    R    56_A      R    56_A    20.830     0    0.629   1.541    22.467    0.000    0.000
LGA    Q    57_A      Q    57_A    24.648     0    0.597   1.180    28.876    0.000    0.000
LGA    Y    58_A      Y    58_A    27.535     0    0.397   1.072    27.744    0.000    0.000
LGA    S    59_A      S    59_A    25.112     0    0.089   0.668    28.992    0.000    0.000
LGA    G    60_A      G    60_A    19.398     0    0.123   0.123    21.348    0.000    0.000
LGA    Y    61_A      Y    61_A    16.836     0    0.036   1.362    25.003    0.000    0.000
LGA    T    62_A      T    62_A    13.428     0    0.137   1.181    15.409    0.000    0.000
LGA    S    63_A      S    63_A    11.738     0    0.215   0.350    11.952    0.000    0.238
LGA    K    64_A      K    64_A    13.062     0    0.085   0.755    21.266    0.000    0.000
LGA    E    65_A      E    65_A     7.692     0    0.609   1.292    14.072   12.976    6.296
LGA    P    66_A      P    66_A     2.311     0    0.486   0.584     2.860   64.881   67.143
LGA    I    67_A      I    67_A     1.319     0    0.047   1.029     5.239   79.286   66.607
LGA    N    68_A      N    68_A     1.583     0    0.136   1.221     3.521   75.000   71.310
LGA    E    69_A      E    69_A     2.449     0    0.163   1.055     3.431   62.857   62.434
LGA    R    70_A      R    70_A     2.926     0    0.039   1.548    11.233   60.952   32.641
LGA    R    71_A      R    71_A     1.699     0    0.039   0.893     3.583   77.143   63.939
LGA    V    72_A      V    72_A     0.949     0    0.026   0.083     1.848   85.952   82.789
LGA    I    73_A      I    73_A     2.048     0    0.088   1.474     6.769   68.810   53.631
LGA    R    74_A      R    74_A     2.061     0    0.036   1.369     8.391   72.976   44.848
LGA    I    75_A      I    75_A     0.677     0    0.006   0.093     1.425   92.857   88.274
LGA    I    76_A      I    76_A     0.862     0    0.047   0.661     1.484   90.476   85.952
LGA    N    77_A      N    77_A     1.218     0    0.076   1.341     5.737   85.952   67.262
LGA    K    78_A      K    78_A     0.873     0    0.019   0.273     1.743   90.476   83.545
LGA    L    79_A      L    79_A     0.901     0    0.014   1.430     5.276   88.214   70.060
LGA    T    80_A      T    80_A     0.876     0    0.040   1.154     3.130   90.476   79.932
LGA    K    81_A      K    81_A     0.669     0    0.029   0.905     5.927   90.476   68.836
LGA    K    82_A      K    82_A     0.900     0    0.032   1.002     4.021   90.476   73.598
LGA    F    83_A      F    83_A     0.476     0    0.076   0.155     1.392   95.238   92.294
LGA    T    84_A      T    84_A     0.786     0    0.158   0.998     3.784   88.214   81.293
LGA    W    85_A      W    85_A     1.462     0    0.105   0.135     2.022   77.381   79.728
LGA    L    86_A      L    86_A     1.952     0    0.108   0.308     3.422   65.357   65.060
LGA    G    87_A      G    87_A     2.623     0    0.044   0.044     4.208   52.262   52.262
LGA    E    88_A      E    88_A     4.769     0    0.075   0.846     6.970   27.381   21.005
LGA    C    89_A      C    89_A     6.372     0    0.116   0.175     7.762   15.952   15.714
LGA    V    90_A      V    90_A     6.635     0    0.591   1.114     7.953   11.905   12.585
LGA    K    91_A      K    91_A     7.398     0    0.037   0.761    12.695   15.714    7.460
LGA    E    92_A      E    92_A     2.749     0    0.697   1.145     6.221   54.048   38.942
LGA    F    93_A      F    93_A     1.451     0    0.158   0.798     5.775   67.024   51.255
LGA    D    94_A      D    94_A     3.811     0    0.602   0.668     6.793   43.690   31.071
LGA    I    95_A      I    95_A     0.742     0    0.139   0.630     6.468   71.667   58.631
LGA    T    96_A      T    96_A     5.451     0    0.034   0.809     8.304   31.786   20.884
LGA    E    97_A      E    97_A     6.394     0    0.082   0.910     9.619   10.714    8.042
LGA    I    98_A      I    98_A     9.331     0    0.133   0.282    11.164    2.500    1.845
LGA    G    99_A      G    99_A    13.652     0    0.621   0.621    15.767    0.000    0.000
LGA    E   100_A      E   100_A    14.429     0    0.046   0.904    15.130    0.000    0.000
LGA    Q   101_A      Q   101_A    16.126     0    0.516   1.374    17.148    0.000    0.000
LGA    Y   102_A      Y   102_A    19.201     0    0.029   1.205    20.421    0.000    0.000
LGA    S   103_A      S   103_A    22.693     0    0.138   0.603    24.487    0.000    0.000
LGA    L   104_A      L   104_A    27.540     0    0.184   0.199    31.944    0.000    0.000
LGA    K   105_A      K   105_A    26.984     0    0.057   0.792    27.945    0.000    0.000
LGA    E   106_A      E   106_A    26.263     0    0.066   0.633    28.269    0.000    0.000
LGA    T   107_A      T   107_A    29.044     0    0.044   0.110    31.282    0.000    0.000
LGA    I   108_A      I   108_A    31.166     0    0.066   0.151    32.227    0.000    0.000
LGA    Q   109_A      Q   109_A    29.730     0    0.014   0.118    31.081    0.000    0.000
LGA    D   110_A      D   110_A    30.650     0    0.550   0.774    33.823    0.000    0.000
LGA    L   111_A      L   111_A    33.310     0    0.222   0.266    36.067    0.000    0.000
LGA    C   112_A      C   112_A    31.555     0    0.183   0.321    33.670    0.000    0.000
LGA    A   113_A      A   113_A    37.864     0    0.192   0.225    40.044    0.000    0.000
LGA    K   114_A      K   114_A    38.477     0    0.505   0.880    39.638    0.000    0.000
LGA    D   115_A      D   115_A    38.614     0    0.117   1.026    41.119    0.000    0.000
LGA    F   116_A      F   116_A    42.020     0    0.639   0.622    45.470    0.000    0.000
LGA    H   117_A      H   117_A    44.858     0    0.222   1.265    50.207    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      101     404    404  100.00     855    855  100.00               106
SUMMARY(RMSD_GDC):    16.460         16.514                 16.861           19.919   17.054

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0     27    1.96    25.236    22.423     1.310

LGA_LOCAL      RMSD:   1.961  Number of atoms:   27  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.615  Number of assigned atoms:  101 
Std_ASGN_ATOMS RMSD:  16.460  Standard rmsd on all 101 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.772438 * X  +  -0.495871 * Y  +   0.396800 * Z  + -25.420145
  Y_new =  -0.239605 * X  +  -0.806163 * Y  +  -0.541009 * Z  + -64.682480
  Z_new =   0.588157 * X  +   0.322821 * Y  +  -0.741524 * Z  +  -1.512037 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.300782 -0.628778  2.730990   [DEG:  -17.2335  -36.0263  156.4742 ]
ZXZ:  0.632821  2.406136  1.068822   [DEG:   36.2580  137.8614   61.2390 ]
 
# END of job
