
#######################################################
#                                                     #
#                        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 (  934),  selected  100 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  100 , 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        4.95    24.25
  LONGEST_CONTINUOUS_SEGMENT:    38      62_A - 99_A        4.98    24.35
  LCS_AVERAGE:     31.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      65_A - 87_A        1.86    25.07
  LONGEST_CONTINUOUS_SEGMENT:    23      66_A - 88_A        1.76    25.37
  LCS_AVERAGE:     15.25

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      66_A - 84_A        0.92    25.11
  LONGEST_CONTINUOUS_SEGMENT:    19      67_A - 85_A        0.95    25.34
  LCS_AVERAGE:     10.64

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  100
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     R    18_A     R    18_A      3    4   12      0    3    3   10   12   14   15   15   16   19   23   23   24   31   32   32   34   38   44   46 
LCS_GDT     K    19_A     K    19_A      5    8   14      3    5    8   10   12   14   15   15   16   18   21   23   25   31   32   35   36   43   46   51 
LCS_GDT     A    20_A     A    20_A      6    8   15      4    5    6    7    7    9   10   13   15   18   21   23   25   31   32   35   42   45   47   51 
LCS_GDT     I    21_A     I    21_A      6    8   35      4    5    6    7    7    9   10   13   15   18   21   23   25   31   32   35   43   45   47   51 
LCS_GDT     N    22_A     N    22_A      6    8   35      4    5    6    7    7    9   10   13   14   18   21   23   25   32   38   41   43   45   47   51 
LCS_GDT     F    23_A     F    23_A      6    8   35      4    5    6    7    7    9   10   13   14   18   23   27   29   33   38   41   43   45   47   51 
LCS_GDT     D    24_A     D    24_A      6   11   35      3    5    6    7    7    9   11   15   23   26   29   30   32   35   38   41   43   45   47   51 
LCS_GDT     L    25_A     L    25_A     10   11   35      7   10   10   10   10   11   13   15   19   23   27   30   31   33   36   41   43   45   47   51 
LCS_GDT     S    26_A     S    26_A     10   11   36      7   10   10   10   10   11   13   17   23   27   29   31   32   35   38   41   43   45   47   51 
LCS_GDT     T    27_A     T    27_A     10   11   36      7   10   10   10   10   11   13   14   19   26   29   30   32   35   38   41   43   45   47   51 
LCS_GDT     K    28_A     K    28_A     10   11   36      7   10   10   10   10   11   18   22   25   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     S    29_A     S    29_A     10   11   36      7   10   10   10   13   19   22   23   25   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     L    30_A     L    30_A     10   11   36      7   10   10   10   10   14   18   23   25   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     E    31_A     E    31_A     10   11   36      7   10   10   10   10   11   19   23   25   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     K    32_A     K    32_A     10   21   36      5   10   10   10   14   20   22   23   25   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     Y    33_A     Y    33_A     10   21   36      5   10   10   10   11   19   22   23   25   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     F    34_A     F    34_A     10   21   36      5   10   10   10   17   20   22   23   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     K    35_A     K    35_A      5   21   36      4    5    7   12   18   18   20   23   26   27   28   30   32   34   36   38   41   43   46   47 
LCS_GDT     D    36_A     D    36_A      5   21   36      4    5    7   17   18   20   21   24   26   27   29   31   33   35   37   41   42   45   47   49 
LCS_GDT     T    37_A     T    37_A     17   21   36      4    7   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     R    38_A     R    38_A     17   21   36      9   15   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     E    39_A     E    39_A     17   21   36      4   15   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     P    40_A     P    40_A     17   21   36      9   15   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     Y    41_A     Y    41_A     17   21   36      9   15   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     S    42_A     S    42_A     17   21   36      9   15   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     L    43_A     L    43_A     17   21   36      9   15   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     I    44_A     I    44_A     17   21   36      5   15   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     K    45_A     K    45_A     17   21   36      9   15   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     K    46_A     K    46_A     17   21   36      9   15   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     F    47_A     F    47_A     17   21   36      9   15   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     M    48_A     M    48_A     17   21   36      9   15   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     L    49_A     L    49_A     17   21   36      8   15   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     E    50_A     E    50_A     17   21   36      5   15   16   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     N    51_A     N    51_A     17   21   36      9   15   16   17   18   20   22   24   26   27   29   31   33   35   37   40   42   45   47   49 
LCS_GDT     G    52_A     G    52_A     17   21   36      3   15   16   17   18   20   22   24   26   27   29   31   33   35   36   40   42   45   47   49 
LCS_GDT     F    53_A     F    53_A     17   21   36      3   12   15   17   18   20   22   24   26   27   29   31   33   35   37   41   42   45   47   49 
LCS_GDT     E    54_A     E    54_A      5   21   36      3    5    9   17   18   20   22   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     H    55_A     H    55_A      5   21   36      3    3    5    7   17   20   21   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     R    56_A     R    56_A      5   20   36      3    3    5    7    9   17   21   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     Q    57_A     Q    57_A      5    6   36      3    4    5   10   10   15   19   23   26   27   30   31   33   35   36   40   43   45   47   51 
LCS_GDT     Y    58_A     Y    58_A      5    6   36      3    4    5   10   12   15   21   24   26   27   30   31   33   35   36   40   43   45   47   51 
LCS_GDT     S    59_A     S    59_A      5   12   36      3    4    9   10   12   15   21   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     G    60_A     G    60_A      7   12   36      4    6    9   10   12   15   21   24   26   27   30   31   33   35   38   41   43   45   47   51 
LCS_GDT     Y    61_A     Y    61_A      7   12   38      4    6    9   11   12   14   18   20   23   24   26   30   32   35   38   41   43   45   47   51 
LCS_GDT     T    62_A     T    62_A      7   12   38      4    6    9   11   12   14   19   21   23   25   28   29   32   34   35   38   43   45   47   51 
LCS_GDT     S    63_A     S    63_A      7   12   38      4    5    9   11   12   15   19   21   23   25   28   31   32   34   35   38   40   44   47   51 
LCS_GDT     K    64_A     K    64_A      7   12   38      4    6    9   11   12   15   18   20   22   24   25   28   32   34   35   36   40   44   45   46 
LCS_GDT     E    65_A     E    65_A      7   23   38      4    6    9   11   15   17   18   25   27   28   29   31   32   34   35   38   40   44   45   46 
LCS_GDT     P    66_A     P    66_A     19   23   38      4   13   17   22   23   25   26   26   27   28   30   32   32   34   35   38   40   44   47   51 
LCS_GDT     I    67_A     I    67_A     19   23   38      7   14   18   22   23   25   26   26   27   28   30   32   32   34   35   38   43   45   47   51 
LCS_GDT     N    68_A     N    68_A     19   23   38      6   14   18   22   23   25   26   26   27   28   30   32   32   34   35   38   43   45   47   51 
LCS_GDT     E    69_A     E    69_A     19   23   38      5   14   18   22   23   25   26   26   27   28   30   32   32   34   35   39   43   45   47   51 
LCS_GDT     R    70_A     R    70_A     19   23   38      6   14   18   22   23   25   26   26   27   28   30   32   32   34   38   41   43   45   47   51 
LCS_GDT     R    71_A     R    71_A     19   23   38      8   14   18   22   23   25   26   26   27   28   30   32   32   34   38   41   43   45   47   49 
LCS_GDT     V    72_A     V    72_A     19   23   38      7   14   18   22   23   25   26   26   27   28   30   32   33   35   38   41   43   45   47   51 
LCS_GDT     I    73_A     I    73_A     19   23   38      6   14   18   22   23   25   26   26   27   28   30   32   33   35   38   41   43   45   47   49 
LCS_GDT     R    74_A     R    74_A     19   23   38      6   14   18   22   23   25   26   26   27   28   30   32   32   35   38   41   42   45   46   48 
LCS_GDT     I    75_A     I    75_A     19   23   38      8   14   18   22   23   25   26   26   27   28   30   32   32   35   38   41   42   45   46   47 
LCS_GDT     I    76_A     I    76_A     19   23   38      8   14   18   22   23   25   26   26   27   28   30   32   32   34   36   38   41   44   46   47 
LCS_GDT     N    77_A     N    77_A     19   23   38      8   14   18   22   23   25   26   26   27   28   30   32   32   34   36   38   40   44   46   47 
LCS_GDT     K    78_A     K    78_A     19   23   38      8   14   18   22   23   25   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     L    79_A     L    79_A     19   23   38      8   14   18   22   23   25   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     T    80_A     T    80_A     19   23   38      8   14   18   22   23   25   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     K    81_A     K    81_A     19   23   38      7   14   18   22   23   25   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     K    82_A     K    82_A     19   23   38      8   14   18   22   23   25   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     F    83_A     F    83_A     19   23   38      7   14   18   22   23   25   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     T    84_A     T    84_A     19   23   38      7   14   18   22   23   25   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     W    85_A     W    85_A     19   23   38      4   10   17   22   23   25   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     L    86_A     L    86_A     18   23   38      4    8   16   22   23   25   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     G    87_A     G    87_A     10   23   38      4    5    9   17   22   25   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     E    88_A     E    88_A      9   23   38      4    5    9   10   12   15   21   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     C    89_A     C    89_A      7   15   38      4    5    8   10   12   14   16   19   25   27   29   32   32   34   35   38   40   44   45   46 
LCS_GDT     V    90_A     V    90_A      7   13   38      3    5    8   10   12   14   15   19   23   27   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     K    91_A     K    91_A      3   13   38      3    3    4    4    6    9   15   19   23   26   30   32   32   33   35   36   37   40   42   46 
LCS_GDT     E    92_A     E    92_A      4   10   38      3    3    7   15   22   25   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     F    93_A     F    93_A      4   10   38      4   10   16   20   23   25   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     D    94_A     D    94_A      7   10   38      4    6    7    8   16   24   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     I    95_A     I    95_A      7   10   38      7   13   16   22   23   25   26   26   27   28   30   32   32   34   35   38   40   44   45   46 
LCS_GDT     T    96_A     T    96_A      7   10   38      4    6    7    8   11   12   19   25   27   28   30   32   32   34   35   38   40   44   47   51 
LCS_GDT     E    97_A     E    97_A      7   10   38      3    6    7    8   11   15   20   25   27   28   29   32   32   34   35   38   40   44   47   51 
LCS_GDT     I    98_A     I    98_A      7   10   38      4    6    7    8   11   12   14   17   20   27   29   30   32   34   35   38   40   44   47   51 
LCS_GDT     G    99_A     G    99_A      7   10   38      3    6    7   11   12   13   14   17   18   23   25   29   32   34   35   38   40   44   47   51 
LCS_GDT     E   100_A     E   100_A      7   10   37      3    4    7   11   12   13   14   17   18   23   28   30   32   34   35   38   40   44   45   46 
LCS_GDT     Q   101_A     Q   101_A      4   10   37      4    4    4    7   10   14   14   17   19   23   28   30   32   34   35   38   40   44   45   51 
LCS_GDT     Y   102_A     Y   102_A      4   13   37      4    4    7   11   12   14   14   16   19   21   23   27   29   31   32   34   38   41   47   51 
LCS_GDT     S   103_A     S   103_A      4   13   19      4    4    9   11   12   14   14   16   19   21   23   27   29   31   32   34   38   43   47   51 
LCS_GDT     L   104_A     L   104_A      4   13   19      4    4    4    4    9   12   12   15   18   20   23   27   29   31   32   34   38   43   46   51 
LCS_GDT     K   105_A     K   105_A     10   13   19      5    9    9   11   12   14   14   16   19   21   23   27   29   31   32   34   38   41   43   46 
LCS_GDT     E   106_A     E   106_A     10   13   19      5    9    9   11   12   14   14   16   19   21   23   27   29   31   32   34   38   41   43   46 
LCS_GDT     T   107_A     T   107_A     10   13   19      4    9    9   11   12   14   14   16   19   21   23   27   29   31   32   34   38   41   43   46 
LCS_GDT     I   108_A     I   108_A     10   13   19      4    9    9   11   12   14   14   16   19   21   23   27   29   31   32   34   38   40   42   46 
LCS_GDT     Q   109_A     Q   109_A     10   13   19      4    9    9   11   12   14   14   16   19   21   23   27   29   31   32   34   36   39   42   46 
LCS_GDT     D   110_A     D   110_A     10   13   19      5    9    9   11   12   14   14   16   19   21   23   27   29   31   32   34   38   40   42   46 
LCS_GDT     L   111_A     L   111_A     10   13   19      5    9    9   11   12   14   14   16   19   21   23   27   29   31   32   34   36   40   42   46 
LCS_GDT     C   112_A     C   112_A     10   13   19      3    9    9   11   12   14   14   15   18   21   23   27   29   31   32   34   36   39   42   46 
LCS_GDT     A   113_A     A   113_A     10   13   19      5    9    9   11   12   14   14   16   19   21   23   27   29   31   32   34   36   39   42   46 
LCS_GDT     K   114_A     K   114_A     10   13   19      3    3    4   11   12   14   14   14   19   21   23   27   29   31   32   34   36   39   42   46 
LCS_GDT     D   115_A     D   115_A      4    5   19      3    3    4    5    6    6    7   12   18   21   22   27   29   31   32   34   36   37   39   42 
LCS_GDT     F   116_A     F   116_A      4    5   19      3    3    4    5    6    6   10   12   19   21   22   27   29   31   32   34   36   38   39   42 
LCS_GDT     H   117_A     H   117_A      4    5   19      0    3    4    5    6    6    7   12   19   21   23   27   29   31   32   34   36   39   42   46 
LCS_AVERAGE  LCS_A:  19.18  (  10.64   15.25   31.64 )

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      9     15     18     22     23     25     26     26     27     28     30     32     33     35     38     41     43     45     47     51 
GDT PERCENT_AT   8.49  14.15  16.98  20.75  21.70  23.58  24.53  24.53  25.47  26.42  28.30  30.19  31.13  33.02  35.85  38.68  40.57  42.45  44.34  48.11
GDT RMS_LOCAL    0.33   0.56   0.78   6.85   1.32   1.59   1.74   1.74   1.99   2.24   2.82   3.19   4.15   4.41   5.34   5.52   6.02   5.83   6.34   7.16
GDT RMS_ALL_AT  25.34  26.00  25.19  25.37  25.45  25.52  25.58  25.58  25.60  25.46  25.46  25.33  21.45  20.91  21.89  22.13  20.10  21.84  20.32  18.77

# Checking swapping
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  E    88_A      E    88_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
#   possible swapping detected:  D   110_A      D   110_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R    18_A      R    18_A    15.639     0    0.559   0.909    22.233    0.000    0.000
LGA    K    19_A      K    19_A    15.630     0    0.628   1.437    17.081    0.000    0.000
LGA    A    20_A      A    20_A    21.026     0    0.108   0.147    22.851    0.000    0.000
LGA    I    21_A      I    21_A    24.795     0    0.101   0.641    27.057    0.000    0.000
LGA    N    22_A      N    22_A    30.658     0    0.513   0.740    32.529    0.000    0.000
LGA    F    23_A      F    23_A    35.555     0    0.242   1.139    37.551    0.000    0.000
LGA    D    24_A      D    24_A    41.054     0    0.035   0.941    44.978    0.000    0.000
LGA    L    25_A      L    25_A    44.934     0    0.697   0.692    48.874    0.000    0.000
LGA    S    26_A      S    26_A    48.057     0    0.042   0.100    48.665    0.000    0.000
LGA    T    27_A      T    27_A    52.121     0    0.018   0.153    55.786    0.000    0.000
LGA    K    28_A      K    28_A    52.649     0    0.065   1.050    55.341    0.000    0.000
LGA    S    29_A      S    29_A    45.802     0    0.025   0.081    48.247    0.000    0.000
LGA    L    30_A      L    30_A    45.437     0    0.185   0.284    47.069    0.000    0.000
LGA    E    31_A      E    31_A    51.337     0    0.099   1.205    58.327    0.000    0.000
LGA    K    32_A      K    32_A    47.996     0    0.061   0.514    48.972    0.000    0.000
LGA    Y    33_A      Y    33_A    42.803     0    0.510   1.270    44.631    0.000    0.000
LGA    F    34_A      F    34_A    45.657     0    0.624   1.337    47.355    0.000    0.000
LGA    K    35_A      K    35_A    46.296     0    0.606   0.973    46.296    0.000    0.000
LGA    D    36_A      D    36_A    44.696     0    0.086   1.306    46.100    0.000    0.000
LGA    T    37_A      T    37_A    41.433     0    0.174   0.177    45.077    0.000    0.000
LGA    R    38_A      R    38_A    40.171     0    0.217   1.062    51.994    0.000    0.000
LGA    E    39_A      E    39_A    36.984     0    0.063   1.176    41.137    0.000    0.000
LGA    P    40_A      P    40_A    32.689     0    0.025   0.307    37.467    0.000    0.000
LGA    Y    41_A      Y    41_A    30.667     0    0.051   1.387    35.755    0.000    0.000
LGA    S    42_A      S    42_A    29.480     0    0.121   0.669    31.679    0.000    0.000
LGA    L    43_A      L    43_A    26.068     0    0.165   0.193    31.398    0.000    0.000
LGA    I    44_A      I    44_A    21.853     0    0.111   0.117    26.017    0.000    0.000
LGA    K    45_A      K    45_A    21.123     0    0.026   0.604    24.482    0.000    0.000
LGA    K    46_A      K    46_A    19.643     0    0.078   0.577    24.590    0.000    0.000
LGA    F    47_A      F    47_A    15.845     0    0.029   1.410    17.460    0.000    0.000
LGA    M    48_A      M    48_A    13.356     0    0.034   0.991    17.769    0.000    0.000
LGA    L    49_A      L    49_A    12.873     0    0.190   1.246    17.991    0.000    0.000
LGA    E    50_A      E    50_A    11.390     0    0.107   1.171    15.258    0.000    0.000
LGA    N    51_A      N    51_A    10.654     0    0.070   1.353    12.310    0.000    0.179
LGA    G    52_A      G    52_A    12.233     0    0.162   0.162    13.924    0.000    0.000
LGA    F    53_A      F    53_A    12.513     0    0.636   0.864    15.559    0.000    0.000
LGA    E    54_A      E    54_A    15.267     0    0.665   1.066    19.069    0.000    0.000
LGA    H    55_A      H    55_A    19.696     0    0.615   0.964    26.207    0.000    0.000
LGA    R    56_A      R    56_A    20.986     0    0.059   0.986    22.857    0.000    0.000
LGA    Q    57_A      Q    57_A    24.980     0    0.623   0.972    27.192    0.000    0.000
LGA    Y    58_A      Y    58_A    27.760     0    0.446   0.992    27.969    0.000    0.000
LGA    S    59_A      S    59_A    25.262     0    0.096   0.681    29.093    0.000    0.000
LGA    G    60_A      G    60_A    19.589     0    0.139   0.139    21.558    0.000    0.000
LGA    Y    61_A      Y    61_A    16.966     0    0.020   1.339    24.746    0.000    0.000
LGA    T    62_A      T    62_A    13.637     0    0.177   1.225    15.676    0.000    0.000
LGA    S    63_A      S    63_A    11.585     0    0.222   0.918    11.881    0.000    0.000
LGA    K    64_A      K    64_A    12.762     0    0.015   0.904    20.114    0.000    0.000
LGA    E    65_A      E    65_A     7.350     0    0.160   1.164    12.784   13.571    6.878
LGA    P    66_A      P    66_A     2.113     0    0.040   0.373     4.090   56.190   60.952
LGA    I    67_A      I    67_A     0.528     0    0.084   0.574     2.363   85.952   86.190
LGA    N    68_A      N    68_A     1.903     0    0.069   1.055     5.907   77.143   59.405
LGA    E    69_A      E    69_A     2.746     0    0.155   1.309     3.494   60.952   66.085
LGA    R    70_A      R    70_A     2.262     0    0.127   1.369     7.868   66.786   42.554
LGA    R    71_A      R    71_A     1.129     0    0.084   1.212     6.965   83.690   61.905
LGA    V    72_A      V    72_A     1.491     0    0.054   0.908     2.822   77.143   71.905
LGA    I    73_A      I    73_A     2.255     0    0.045   1.726     7.794   68.810   53.810
LGA    R    74_A      R    74_A     1.743     0    0.023   1.404     4.711   77.143   64.589
LGA    I    75_A      I    75_A     0.456     0    0.064   0.146     1.694   97.619   90.714
LGA    I    76_A      I    76_A     0.965     0    0.041   0.637     1.546   88.214   84.881
LGA    N    77_A      N    77_A     1.161     0    0.119   1.328     5.901   88.214   66.726
LGA    K    78_A      K    78_A     0.859     0    0.066   0.203     1.997   90.476   83.598
LGA    L    79_A      L    79_A     0.733     0    0.218   1.393     5.218   90.476   72.083
LGA    T    80_A      T    80_A     0.719     0    0.038   1.168     2.870   90.476   80.952
LGA    K    81_A      K    81_A     0.671     0    0.089   0.813     5.634   90.476   68.836
LGA    K    82_A      K    82_A     1.048     0    0.043   1.034     3.810   85.952   72.910
LGA    F    83_A      F    83_A     0.501     0    0.149   0.285     1.676   90.595   88.139
LGA    T    84_A      T    84_A     0.915     0    0.152   1.030     4.104   83.810   75.238
LGA    W    85_A      W    85_A     1.614     0    0.137   1.125     9.431   72.976   43.197
LGA    L    86_A      L    86_A     1.913     0    0.106   0.662     3.639   63.690   61.488
LGA    G    87_A      G    87_A     2.891     0    0.049   0.049     5.151   46.310   46.310
LGA    E    88_A      E    88_A     5.532     0    0.060   0.933     8.299   20.714   14.339
LGA    C    89_A      C    89_A     6.923     0    0.156   0.167     8.237   12.381   12.143
LGA    V    90_A      V    90_A     7.064     0    0.611   0.995     8.647    9.286   11.088
LGA    K    91_A      K    91_A     7.736     0    0.091   0.729    12.826   12.857    6.085
LGA    E    92_A      E    92_A     2.800     0    0.721   1.157     5.762   50.833   40.423
LGA    F    93_A      F    93_A     1.644     0    0.068   0.771     5.080   63.095   51.126
LGA    D    94_A      D    94_A     3.673     0    0.622   0.583     7.358   45.476   32.083
LGA    I    95_A      I    95_A     0.411     0    0.108   0.602     6.183   71.190   58.393
LGA    T    96_A      T    96_A     5.871     0    0.098   0.894     8.611   26.905   17.483
LGA    E    97_A      E    97_A     7.154     0    0.067   0.933    10.123    6.667    4.921
LGA    I    98_A      I    98_A    10.064     0    0.235   1.440    11.300    1.190    1.012
LGA    G    99_A      G    99_A    14.763     0    0.642   0.642    16.990    0.000    0.000
LGA    E   100_A      E   100_A    15.793     0    0.043   1.111    16.512    0.000    0.000
LGA    Q   101_A      Q   101_A    17.436     0    0.448   1.152    18.066    0.000    0.000
LGA    Y   102_A      Y   102_A    20.193     0    0.101   0.116    21.065    0.000    0.000
LGA    S   103_A      S   103_A    23.526     0    0.146   0.548    24.999    0.000    0.000
LGA    L   104_A      L   104_A    27.298     0    0.644   0.604    32.278    0.000    0.000
LGA    K   105_A      K   105_A    24.404     0    0.393   1.291    26.632    0.000    0.000
LGA    E   106_A      E   106_A    29.736     0    0.045   1.175    36.744    0.000    0.000
LGA    T   107_A      T   107_A    28.811     0    0.099   0.980    30.055    0.000    0.000
LGA    I   108_A      I   108_A    25.957     0    0.021   0.623    28.286    0.000    0.000
LGA    Q   109_A      Q   109_A    31.112     0    0.053   0.973    33.933    0.000    0.000
LGA    D   110_A      D   110_A    34.171     0    0.031   1.087    37.527    0.000    0.000
LGA    L   111_A      L   111_A    30.654     0    0.028   1.395    31.458    0.000    0.000
LGA    C   112_A      C   112_A    31.289     0    0.459   0.874    33.326    0.000    0.000
LGA    A   113_A      A   113_A    37.617     0    0.271   0.286    39.169    0.000    0.000
LGA    K   114_A      K   114_A    38.304     0    0.507   0.870    39.358    0.000    0.000
LGA    D   115_A      D   115_A    38.239     0    0.156   1.082    40.668    0.000    0.000
LGA    F   116_A      F   116_A    41.413     0    0.661   0.575    45.168    0.000    0.000
LGA    H   117_A      H   117_A    44.348     0    0.308   1.341    49.670    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      100     400    400  100.00     847    847  100.00               106
SUMMARY(RMSD_GDC):    16.361         16.410                 16.979           19.502   16.591

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  110  106    4.0     26    1.74    24.528    22.173     1.416

LGA_LOCAL      RMSD:   1.736  Number of atoms:   26  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.577  Number of assigned atoms:  100 
Std_ASGN_ATOMS RMSD:  16.361  Standard rmsd on all 100 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.794728 * X  +  -0.511633 * Y  +   0.326557 * Z  + -26.084091
  Y_new =  -0.255361 * X  +  -0.769923 * Y  +  -0.584816 * Z  + -63.426182
  Z_new =   0.550635 * X  +   0.381380 * Y  +  -0.742530 * Z  +   0.633480 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.310899 -0.583125  2.667107   [DEG:  -17.8132  -33.4106  152.8140 ]
ZXZ:  0.509264  2.407636  0.965042   [DEG:   29.1787  137.9474   55.2928 ]
 
# END of job
