
#######################################################
#                                                     #
#                        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  101 (  823),  selected   97 , name one
# Molecule2: number of CA atoms   97 (  780),  selected   97 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43      52_A - 94_A        4.92    21.19
  LONGEST_CONTINUOUS_SEGMENT:    43      53_A - 95_A        4.77    21.06
  LCS_AVERAGE:     31.95

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      57_A - 89_A        1.99    17.68
  LONGEST_CONTINUOUS_SEGMENT:    33      58_A - 90_A        1.72    17.60
  LONGEST_CONTINUOUS_SEGMENT:    33      59_A - 91_A        1.96    18.03
  LCS_AVERAGE:     17.13

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      58_A - 78_A        0.91    18.32
  LONGEST_CONTINUOUS_SEGMENT:    21      59_A - 79_A        0.95    18.01
  LCS_AVERAGE:      9.10

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   97
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     E     4_A     E     4_A      3    3   16      0    3    3    3    4    4    5    5    5    8    9   11   11   13   15   33   35   37   42   48 
LCS_GDT     I     5_A     I     5_A      3    4   21      3    3    3    3    4    4    5    5    8   12   18   21   23   26   31   43   44   49   51   53 
LCS_GDT     K     6_A     K     6_A      3    6   21      3    3    3    4    5   12   13   14   18   18   25   32   36   42   45   46   48   49   52   53 
LCS_GDT     G     7_A     G     7_A      4    8   21      3    4    5    8   11   13   13   33   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     Y     8_A     Y     8_A      4    8   21      4    4    5    8   11   23   27   33   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     E     9_A     E     9_A      4    8   21      4    4    5    8   11   23   29   33   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     Y    10_A     Y    10_A      4    8   21      4    4    5    8   11   18   28   33   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     Q    11_A     Q    11_A      4    8   21      3    4    5    8   15   27   31   33   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     L    12_A     L    12_A      5    8   21      3    5    5    8   11   13   13   15   18   29   35   42   44   44   45   47   48   50   52   53 
LCS_GDT     Y    13_A     Y    13_A      5    8   21      3    5    5    8   11   13   13   15   18   29   33   42   44   44   45   47   48   50   52   53 
LCS_GDT     V    14_A     V    14_A      5    8   21      3    5    5    8   11   13   13   15   18   18   19   22   25   28   31   34   36   39   43   53 
LCS_GDT     Y    15_A     Y    15_A      5    8   21      3    5    5    7    8   12   13   15   18   18   19   22   25   28   31   34   36   39   42   48 
LCS_GDT     A    16_A     A    16_A      5    8   21      3    5    5    7    8   10   11   13   15   18   19   22   23   27   31   34   36   39   42   48 
LCS_GDT     S    17_A     S    17_A      4    8   21      0    3    4    7    7    9   11   13   16   18   19   21   24   28   31   34   36   39   42   48 
LCS_GDT     D    18_A     D    18_A      4    8   21      3    4    5    7    8    9   11   13   18   18   19   22   25   28   31   34   36   39   42   48 
LCS_GDT     K    19_A     K    19_A      4    8   21      3    4    5    7   10   13   13   15   18   18   19   22   25   28   31   34   36   39   42   48 
LCS_GDT     L    20_A     L    20_A      4    8   21      3    4    5    5    7    8   11   11   15   17   18   20   23   28   31   34   36   39   42   48 
LCS_GDT     F    21_A     F    21_A      4    8   21      3    4    5    7    8   10   11   12   15   17   18   22   25   28   31   34   36   39   42   50 
LCS_GDT     R    22_A     R    22_A      3    3   21      3    4    4    4    6    7    9   12   16   17   19   22   28   33   41   44   47   49   51   53 
LCS_GDT     A    23_A     A    23_A      3    3   21      3    4    4    5    7    9   10   11   13   16   19   21   23   26   31   34   36   39   42   48 
LCS_GDT     D    24_A     D    24_A      3    3   21      3    4    4    4    6    7    8   11   13   14   17   18   21   25   28   33   36   39   42   48 
LCS_GDT     I    25_A     I    25_A      3    3   21      3    3    3    4    4    4    6   10   13   16   19   21   23   27   31   34   36   39   42   48 
LCS_GDT     S    26_A     S    26_A      3    3   18      0    3    3    4    4    4    5    7   10   14   17   20   23   26   31   34   36   39   42   48 
LCS_GDT     E    27_A     E    27_A      3    3   18      3    3    3    4    4    4    6   11   13   14   17   20   22   24   26   33   34   39   42   48 
LCS_GDT     D    28_A     D    28_A      5    5   18      4    5    5    5    6    8   11   13   14   14   16   20   22   24   25   26   33   39   42   48 
LCS_GDT     Y    29_A     Y    29_A      5    5   18      4    5    5    5    5    7    9   11   14   14   15   16   18   19   21   26   28   33   38   48 
LCS_GDT     K    30_A     K    30_A      5    5   18      4    5    5    5    5    7   10   13   14   14   15   16   17   19   22   26   27   31   38   39 
LCS_GDT     T    31_A     T    31_A      5    5   18      4    5    5    5    6    8   11   13   14   14   16   20   22   24   27   33   35   39   42   48 
LCS_GDT     R    32_A     R    32_A      5    5   18      4    5    5    5    5    7   11   13   14   14   17   20   23   26   31   34   36   39   42   48 
LCS_GDT     G    33_A     G    33_A      4    6   18      1    3    5    6    7    8   11   13   18   18   19   21   25   28   31   34   36   39   42   48 
LCS_GDT     R    34_A     R    34_A      4    6   18      0    4    5    6    8   13   13   15   18   18   19   22   25   28   31   34   36   38   42   48 
LCS_GDT     K    35_A     K    35_A      4    6   18      3    4    5    6    7    8   11   13   14   17   19   22   22   25   30   34   36   38   42   48 
LCS_GDT     L    36_A     L    36_A      4    6   18      3    4    5    6    7   10   11   13   15   16   17   20   22   24   27   30   34   34   37   42 
LCS_GDT     L    37_A     L    37_A      4    6   18      3    3    5    6    6    8   11   13   14   15   17   20   22   24   28   34   46   49   51   53 
LCS_GDT     R    38_A     R    38_A      4    6   18      3    3    4    6    7    8   11   13   14   15   17   20   32   41   44   46   48   49   52   53 
LCS_GDT     F    39_A     F    39_A      4    6   18      3    3    4    5    6    8   11   13   14   15   17   20   25   38   40   47   48   50   52   53 
LCS_GDT     N    40_A     N    40_A      4    5   18      3    3    4    4    5    7   30   32   33   35   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     G    41_A     G    41_A      3    5   18      3    3    3    4    5    6    8   31   33   35   36   40   44   44   45   47   48   50   52   53 
LCS_GDT     P    42_A     P    42_A      3    5   18      1    3    3    4    5    6    7    7   10   13   17   20   22   25   40   42   48   50   52   53 
LCS_GDT     V    43_A     V    43_A      3    5   18      3    3    3    4    5    6   10   16   18   34   36   42   44   44   45   47   48   50   52   53 
LCS_GDT     P    44_A     P    44_A      3    5   18      3    4    4   20   23   28   32   34   34   36   38   40   44   44   45   47   48   50   52   53 
LCS_GDT     P    45_A     P    45_A      3    7   18      3    3    4    7   11   13   13   16   20   25   32   34   38   44   45   47   48   50   52   53 
LCS_GDT     P    46_A     P    46_A      4    7   33      3    3    5    8   11   13   13   15   18   18   19   22   29   36   39   42   46   50   51   53 
LCS_GDT     G    47_A     G    47_A      4    7   34      3    4    5    6   11   13   13   15   18   18   19   22   25   28   39   43   43   45   46   49 
LCS_GDT     G    48_A     G    48_A      4    7   34      3    4    5    6    8    9   10   15   23   28   32   35   37   40   40   43   43   46   47   50 
LCS_GDT     S    49_A     S    49_A      4    8   34      3    3    5    6    8   15   19   22   27   30   32   36   37   40   40   42   43   46   46   48 
LCS_GDT     G    50_A     G    50_A      4   16   34      3    4    7   11   14   16   19   22   25   29   32   36   37   40   40   42   43   46   46   48 
LCS_GDT     G    51_A     G    51_A      3   16   34      3    6    8   11   14   16   19   22   25   29   32   36   37   40   40   42   43   46   46   48 
LCS_GDT     G    52_A     G    52_A      9   16   43      3    6   13   14   15   16   18   21   24   29   32   36   37   40   40   42   43   46   46   48 
LCS_GDT     E    53_A     E    53_A      9   16   43      5    9   13   14   15   16   18   21   25   29   32   36   37   40   40   42   43   46   46   48 
LCS_GDT     W    54_A     W    54_A      9   16   43      5    9   13   14   15   17   21   25   27   30   32   36   37   40   40   43   43   46   46   48 
LCS_GDT     E    55_A     E    55_A      9   16   43      5    9   12   14   15   16   18   21   25   29   32   36   37   40   40   43   43   46   46   48 
LCS_GDT     I    56_A     I    56_A      9   25   43      4    9   13   14   18   25   26   28   34   36   37   38   38   40   41   43   46   50   52   53 
LCS_GDT     I    57_A     I    57_A      9   33   43      4    8   13   14   18   25   26   28   34   36   37   38   40   41   42   47   48   50   52   53 
LCS_GDT     D    58_A     D    58_A     21   33   43      4    8   16   25   30   31   33   34   34   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     I    59_A     I    59_A     21   33   43      4   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     G    60_A     G    60_A     21   33   43      9   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     P    61_A     P    61_A     21   33   43     12   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     F    62_A     F    62_A     21   33   43     10   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     T    63_A     T    63_A     21   33   43      8   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     Q    64_A     Q    64_A     21   33   43     11   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     N    65_A     N    65_A     21   33   43     12   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     L    66_A     L    66_A     21   33   43     12   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     G    67_A     G    67_A     21   33   43     12   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     K    68_A     K    68_A     21   33   43     12   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     F    69_A     F    69_A     21   33   43     12   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     A    70_A     A    70_A     21   33   43     12   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     V    71_A     V    71_A     21   33   43     12   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     D    72_A     D    72_A     21   33   43     12   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     E    73_A     E    73_A     21   33   43     12   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     E    74_A     E    74_A     21   33   43     10   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     N    75_A     N    75_A     21   33   43     12   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     K    76_A     K    76_A     21   33   43      4   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     I    77_A     I    77_A     21   33   43      4   15   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     G    78_A     G    78_A     21   33   43      4   15   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     Q    79_A     Q    79_A     21   33   43      4   10   21   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     Y    80_A     Y    80_A     15   33   43      3   11   21   27   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     G    81_A     G    81_A     13   33   43      4   12   21   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     R    82_A     R    82_A     13   33   43      3   10   21   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     L    83_A     L    83_A     13   33   43      3   12   21   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     T    84_A     T    84_A     13   33   43      4   12   21   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     F    85_A     F    85_A     11   33   43      3    9   19   25   28   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     N    86_A     N    86_A      6   33   43      3    8   21   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     K    87_A     K    87_A      6   33   43     12   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     V    88_A     V    88_A      6   33   43      3   18   22   28   30   31   33   34   35   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     I    89_A     I    89_A      6   33   43      3    6   14   22   25   31   33   34   34   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     R    90_A     R    90_A      5   33   43      3   15   20   26   30   31   33   34   34   36   38   42   44   44   45   47   48   50   52   53 
LCS_GDT     P    91_A     P    91_A      5   33   43      3    8   10   11   19   26   32   33   34   36   37   38   38   40   41   43   46   50   52   53 
LCS_GDT     C    92_A     C    92_A      5    7   43      3    4    5    9   12   17   24   27   31   34   37   38   38   40   40   43   43   46   46   48 
LCS_GDT     M    93_A     M    93_A      5    7   43      5    9   13   14   18   23   24   28   31   35   37   38   38   40   40   43   43   46   46   48 
LCS_GDT     K    94_A     K    94_A      5    7   43      5    9   13   14   15   16   18   21   25   29   32   36   37   40   40   42   43   46   46   48 
LCS_GDT     K    95_A     K    95_A      5    7   43      4    6   13   14   15   16   18   20   23   28   30   34   36   40   40   42   43   46   46   48 
LCS_GDT     T    96_A     T    96_A      5    7   42      4    9   13   14   15   16   18   19   22   23   24   31   33   34   39   39   39   40   43   45 
LCS_GDT     I    97_A     I    97_A      5    7   13      4    9   13   14   15   16   18   19   22   23   24   26   29   30   32   37   38   40   41   48 
LCS_GDT     Y    98_A     Y    98_A      5    7   13      3    3    6   10   10   16   18   19   22   23   23   26   29   30   30   35   36   40   42   48 
LCS_GDT     E    99_A     E    99_A      3    4   13      3    3    3    4    4    6   10   13   17   17   22   24   25   28   31   35   36   39   42   48 
LCS_GDT     N   100_A     N   100_A      3    4   13      0    3    3    3    3    5    8    9   10   11   11   17   19   21   25   30   33   38   40   44 
LCS_AVERAGE  LCS_A:  19.39  (   9.10   17.13   31.95 )

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     12     18     22     28     30     31     33     34     35     36     38     42     44     44     45     47     48     50     52     53 
GDT PERCENT_AT  12.37  18.56  22.68  28.87  30.93  31.96  34.02  35.05  36.08  37.11  39.18  43.30  45.36  45.36  46.39  48.45  49.48  51.55  53.61  54.64
GDT RMS_LOCAL    0.31   0.52   0.79   1.34   1.46   1.53   1.72   1.84   2.47   2.57   3.00   3.65   3.82   3.82   4.06   4.36   4.57   5.03   5.23   5.39
GDT RMS_ALL_AT  18.16  18.23  18.23  17.43  17.53  17.57  17.60  17.54  16.64  16.64  16.50  16.32  16.29  16.29  16.21  16.19  16.07  16.18  16.07  16.03

# Checking swapping
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  D    18_A      D    18_A
#   possible swapping detected:  D    24_A      D    24_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  F    62_A      F    62_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  D    72_A      D    72_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  Y    80_A      Y    80_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A    18.597     4    0.239   0.305    19.816    0.000    0.000
LGA    I     5_A      I     5_A    19.011     0    0.618   1.061    21.104    0.000    0.000
LGA    K     6_A      K     6_A    19.245     0    0.081   1.160    21.701    0.000    0.000
LGA    G     7_A      G     7_A    15.114     0    0.550   0.550    16.279    0.000    0.000
LGA    Y     8_A      Y     8_A    14.840     0    0.121   1.282    20.461    0.000    0.000
LGA    E     9_A      E     9_A    12.764     0    0.100   0.233    13.401    0.000    0.000
LGA    Y    10_A      Y    10_A    12.607     0    0.542   1.470    18.446    0.000    0.000
LGA    Q    11_A      Q    11_A     9.501     0    0.501   1.173    10.152    1.548    4.074
LGA    L    12_A      L    12_A    10.642     0    0.120   1.038    17.302    0.119    0.060
LGA    Y    13_A      Y    13_A    10.544     0    0.138   1.260    12.998    0.000    5.476
LGA    V    14_A      V    14_A    16.571     0    0.095   1.121    18.964    0.000    0.000
LGA    Y    15_A      Y    15_A    18.604     0    0.155   0.169    21.437    0.000    0.000
LGA    A    16_A      A    16_A    24.300     0    0.077   0.100    25.467    0.000    0.000
LGA    S    17_A      S    17_A    26.297     0    0.523   0.775    26.297    0.000    0.000
LGA    D    18_A      D    18_A    25.920     0    0.063   0.140    27.549    0.000    0.000
LGA    K    19_A      K    19_A    24.356     0    0.062   1.061    28.731    0.000    0.000
LGA    L    20_A      L    20_A    22.385     0    0.633   1.311    24.984    0.000    0.000
LGA    F    21_A      F    21_A    19.819     0    0.586   1.070    24.426    0.000    0.000
LGA    R    22_A      R    22_A    18.384     0    0.578   1.054    23.706    0.000    0.000
LGA    A    23_A      A    23_A    24.990     0    0.594   0.578    27.249    0.000    0.000
LGA    D    24_A      D    24_A    24.958     0    0.634   0.652    26.150    0.000    0.000
LGA    I    25_A      I    25_A    24.221     0    0.603   1.084    25.084    0.000    0.000
LGA    S    26_A      S    26_A    28.723     0    0.615   0.770    32.662    0.000    0.000
LGA    E    27_A      E    27_A    32.453     0    0.597   0.657    36.313    0.000    0.000
LGA    D    28_A      D    28_A    31.946     0    0.626   1.133    35.852    0.000    0.000
LGA    Y    29_A      Y    29_A    30.126     0    0.064   1.375    32.062    0.000    0.000
LGA    K    30_A      K    30_A    36.530     0    0.037   0.642    43.374    0.000    0.000
LGA    T    31_A      T    31_A    37.859     0    0.138   0.158    41.295    0.000    0.000
LGA    R    32_A      R    32_A    30.853     0    0.634   0.923    33.130    0.000    0.000
LGA    G    33_A      G    33_A    29.355     0    0.629   0.629    30.231    0.000    0.000
LGA    R    34_A      R    34_A    25.612     0    0.583   0.990    27.679    0.000    0.000
LGA    K    35_A      K    35_A    25.791     0    0.356   1.029    28.335    0.000    0.000
LGA    L    36_A      L    36_A    22.007     0    0.380   1.434    24.853    0.000    0.000
LGA    L    37_A      L    37_A    17.045     0    0.567   1.447    18.235    0.000    0.000
LGA    R    38_A      R    38_A    13.251     0    0.126   1.212    15.683    0.000    0.000
LGA    F    39_A      F    39_A     9.633     0    0.629   0.629    10.985    0.952    0.693
LGA    N    40_A      N    40_A     7.430     0    0.175   0.480     8.123    6.667   13.095
LGA    G    41_A      G    41_A     8.502     0    0.511   0.511    12.186    2.024    2.024
LGA    P    42_A      P    42_A     8.731     0    0.316   0.648    12.469   11.310    6.463
LGA    V    43_A      V    43_A     6.694     0    0.326   1.248     9.680   11.310    7.415
LGA    P    44_A      P    44_A     3.960     0    0.165   0.600     7.982   25.238   36.939
LGA    P    45_A      P    45_A    10.109     0    0.629   1.067    10.819    1.905    1.224
LGA    P    46_A      P    46_A    10.612     0    0.660   0.995    12.422    0.119    0.068
LGA    G    47_A      G    47_A    14.495     0    0.678   0.678    14.841    0.000    0.000
LGA    G    48_A      G    48_A    15.935     0    0.267   0.267    18.423    0.000    0.000
LGA    S    49_A      S    49_A    21.329     0    0.090   0.627    22.351    0.000    0.000
LGA    G    50_A      G    50_A    24.607     0    0.176   0.176    24.607    0.000    0.000
LGA    G    51_A      G    51_A    24.945     0    0.059   0.059    26.215    0.000    0.000
LGA    G    52_A      G    52_A    25.442     0    0.187   0.187    25.752    0.000    0.000
LGA    E    53_A      E    53_A    20.721     0    0.127   1.143    25.505    0.000    0.000
LGA    W    54_A      W    54_A    16.031     0    0.088   0.867    18.591    0.000    0.000
LGA    E    55_A      E    55_A    12.937     0    0.095   1.066    18.562    0.000    0.000
LGA    I    56_A      I    56_A     7.798     0    0.058   0.716     9.543    4.881   11.845
LGA    I    57_A      I    57_A     6.428     0    0.119   1.101     9.649   22.024   18.274
LGA    D    58_A      D    58_A     2.832     0    0.157   0.511     4.349   60.000   56.310
LGA    I    59_A      I    59_A     1.448     0    0.291   1.363     5.144   75.833   60.893
LGA    G    60_A      G    60_A     1.543     0    0.142   0.142     1.543   88.571   88.571
LGA    P    61_A      P    61_A     1.671     0    0.039   0.543     2.433   77.143   74.218
LGA    F    62_A      F    62_A     1.817     0    0.045   0.054     3.643   77.143   61.299
LGA    T    63_A      T    63_A     0.894     0    0.062   0.063     1.740   90.476   85.374
LGA    Q    64_A      Q    64_A     0.701     0    0.049   1.083     5.774   95.238   69.841
LGA    N    65_A      N    65_A     0.848     0    0.063   0.185     2.484   90.476   80.655
LGA    L    66_A      L    66_A     0.963     0    0.090   1.323     4.413   90.476   72.560
LGA    G    67_A      G    67_A     0.732     0    0.045   0.045     0.743   90.476   90.476
LGA    K    68_A      K    68_A     0.317     0    0.037   1.291     6.742  100.000   70.899
LGA    F    69_A      F    69_A     0.764     0    0.084   1.291     5.676   90.476   66.970
LGA    A    70_A      A    70_A     1.282     0    0.055   0.052     1.661   83.690   81.524
LGA    V    71_A      V    71_A     1.128     0    0.044   1.087     3.530   85.952   74.082
LGA    D    72_A      D    72_A     0.411     0    0.052   0.171     0.686   95.238   96.429
LGA    E    73_A      E    73_A     0.601     0    0.021   0.394     1.462   90.476   89.471
LGA    E    74_A      E    74_A     0.922     0    0.051   0.872     2.676   90.476   77.196
LGA    N    75_A      N    75_A     0.967     0    0.138   0.389     1.556   88.214   87.143
LGA    K    76_A      K    76_A     1.395     0    0.077   0.091     2.473   81.429   73.968
LGA    I    77_A      I    77_A     1.121     0    0.072   0.184     1.442   81.429   83.690
LGA    G    78_A      G    78_A     1.361     0    0.166   0.166     1.597   79.286   79.286
LGA    Q    79_A      Q    79_A     2.006     0    0.276   1.478     4.726   63.095   50.847
LGA    Y    80_A      Y    80_A     2.534     0    0.494   0.437     4.673   54.643   58.333
LGA    G    81_A      G    81_A     2.089     0    0.266   0.266     2.975   64.881   64.881
LGA    R    82_A      R    82_A     2.180     0    0.182   1.020     8.015   54.524   40.952
LGA    L    83_A      L    83_A     1.830     0    0.048   0.084     2.422   75.119   70.952
LGA    T    84_A      T    84_A     1.849     0    0.622   0.965     4.952   72.976   61.497
LGA    F    85_A      F    85_A     3.573     0    0.310   0.507     5.827   45.119   34.719
LGA    N    86_A      N    86_A     1.470     0    0.191   1.111     5.262   69.286   61.488
LGA    K    87_A      K    87_A     1.369     0    0.071   0.862     7.288   81.429   54.127
LGA    V    88_A      V    88_A     1.590     0    0.057   0.091     2.677   67.143   72.109
LGA    I    89_A      I    89_A     3.700     0    0.115   1.155     9.435   46.667   30.357
LGA    R    90_A      R    90_A     2.664     0    0.542   1.052     5.924   51.905   49.827
LGA    P    91_A      P    91_A     6.976     0    0.382   0.417    10.532    8.333    5.578
LGA    C    92_A      C    92_A    10.740     0    0.611   0.768    13.530    0.714    0.476
LGA    M    93_A      M    93_A    10.667     0    0.318   0.807    12.106    0.000    0.179
LGA    K    94_A      K    94_A    15.223     0    0.120   0.668    21.075    0.000    0.000
LGA    K    95_A      K    95_A    20.494     0    0.118   0.942    26.835    0.000    0.000
LGA    T    96_A      T    96_A    23.307     0    0.071   0.112    25.484    0.000    0.000
LGA    I    97_A      I    97_A    28.047     0    0.462   0.690    31.543    0.000    0.000
LGA    Y    98_A      Y    98_A    33.264     0    0.063   1.246    34.397    0.000    0.000
LGA    E    99_A      E    99_A    38.216     0    0.447   0.966    43.237    0.000    0.000
LGA    N   100_A      N   100_A    39.071     0    0.473   1.340    40.810    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       97     388    388  100.00     780    780  100.00                97
SUMMARY(RMSD_GDC):    14.572         14.609                 14.969           27.283   24.586

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     34    1.84    32.732    29.473     1.752

LGA_LOCAL      RMSD:   1.841  Number of atoms:   34  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.536  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  14.572  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.268999 * X  +  -0.799857 * Y  +   0.536534 * Z  + -17.971189
  Y_new =  -0.834119 * X  +  -0.085050 * Y  +  -0.544988 * Z  +  54.399834
  Z_new =   0.481545 * X  +  -0.594134 * Y  +  -0.644297 * Z  +  94.967995 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.882760 -0.502416 -2.396677   [DEG: -107.8742  -28.7863 -137.3195 ]
ZXZ:  0.777582  2.270900  2.460483   [DEG:   44.5521  130.1130  140.9753 ]
 
# END of job
