
#######################################################
#                                                     #
#                        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   88 (  723),  selected   88 , name one
# Molecule2: number of CA atoms  401 ( 3055),  selected   88 , 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:    49      21_A - 69_A        4.99    12.97
  LCS_AVERAGE:     10.98

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      19_A - 44_A        1.71    15.64
  LONGEST_CONTINUOUS_SEGMENT:    26      20_A - 45_A        1.86    16.46
  LCS_AVERAGE:      4.80

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      20_A - 42_A        0.80    16.32
  LCS_AVERAGE:      3.49

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   88
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     5_A     E     5_A      4    4   31      4    4    6    9   11   13   16   20   26   32   36   46   55   60   65   67   69   70   71   72 
LCS_GDT     L     6_A     L     6_A      4   14   31      4    4    4    4    8   13   17   19   25   26   30   33   39   47   62   66   69   70   71   72 
LCS_GDT     A     7_A     A     7_A     12   14   41      4    5   12   12   13   13   14   14   17   21   25   28   31   32   34   37   41   61   67   71 
LCS_GDT     A     8_A     A     8_A     12   14   41      4   10   12   12   13   14   17   20   22   25   30   33   39   54   62   67   69   70   71   72 
LCS_GDT     M     9_A     M     9_A     12   14   42      4    6   12   12   13   14   17   20   26   28   33   44   54   60   65   67   69   70   71   72 
LCS_GDT     S    10_A     S    10_A     12   14   42      4   10   12   12   13   14   17   20   26   32   36   46   55   60   65   67   69   70   71   72 
LCS_GDT     E    11_A     E    11_A     12   14   42      4   10   12   12   13   13   17   20   26   31   36   46   55   60   65   67   69   70   71   72 
LCS_GDT     A    12_A     A    12_A     12   14   42      4   10   12   12   13   14   22   27   30   32   36   46   55   60   65   67   69   70   71   72 
LCS_GDT     E    13_A     E    13_A     12   14   42      6   10   12   12   13   16   24   27   30   32   36   46   55   60   65   67   69   70   71   72 
LCS_GDT     F    14_A     F    14_A     12   14   42      6   10   12   12   13   14   17   20   26   32   36   46   55   60   65   67   69   70   71   72 
LCS_GDT     R    15_A     R    15_A     12   14   42      6   10   12   12   13   16   24   27   30   32   36   46   55   60   65   67   69   70   71   72 
LCS_GDT     A    16_A     A    16_A     12   14   42      6   10   12   12   13   18   24   27   30   32   36   45   55   60   65   67   69   70   71   72 
LCS_GDT     L    17_A     L    17_A     12   14   42      6   10   12   12   13   13   14   16   21   25   30   38   46   58   65   67   69   70   71   72 
LCS_GDT     L    18_A     L    18_A     12   25   42      6   10   12   12   13   13   16   18   21   28   36   45   55   60   65   67   69   70   71   72 
LCS_GDT     Q    19_A     Q    19_A      3   26   46      3    5   16   20   23   24   25   27   30   32   36   46   55   60   65   67   69   70   71   72 
LCS_GDT     G    20_A     G    20_A     23   26   48      4   13   20   23   23   24   25   26   27   28   32   37   46   52   61   65   67   69   71   72 
LCS_GDT     K    21_A     K    21_A     23   26   49     12   19   22   23   23   24   25   26   30   32   36   46   55   60   65   67   69   70   71   72 
LCS_GDT     K    22_A     K    22_A     23   26   49     12   19   22   23   23   24   25   27   30   32   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     E    23_A     E    23_A     23   26   49     12   19   22   23   23   24   25   27   30   32   36   46   55   60   65   67   69   70   71   72 
LCS_GDT     T    24_A     T    24_A     23   26   49     12   19   22   23   23   24   25   27   30   32   36   46   55   60   65   67   69   70   71   72 
LCS_GDT     L    25_A     L    25_A     23   26   49     12   19   22   23   23   24   25   27   30   32   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     K    26_A     K    26_A     23   26   49     12   19   22   23   23   24   25   27   30   33   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     N    27_A     N    27_A     23   26   49     12   19   22   23   23   24   25   27   30   32   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     I    28_A     I    28_A     23   26   49     12   19   22   23   23   24   25   27   30   32   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     I    29_A     I    29_A     23   26   49     12   19   22   23   23   24   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     K    30_A     K    30_A     23   26   49     12   19   22   23   23   24   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     E    31_A     E    31_A     23   26   49     12   19   22   23   23   24   25   27   30   33   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     L    32_A     L    32_A     23   26   49     12   19   22   23   23   24   25   27   30   33   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     D    33_A     D    33_A     23   26   49      8   19   22   23   23   24   25   27   31   34   37   43   54   60   65   67   69   70   71   72 
LCS_GDT     E    34_A     E    34_A     23   26   49     12   19   22   23   23   24   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     K    35_A     K    35_A     23   26   49     12   19   22   23   23   24   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     I    36_A     I    36_A     23   26   49     12   19   22   23   23   24   25   27   30   34   37   41   46   59   65   67   69   70   71   72 
LCS_GDT     K    37_A     K    37_A     23   26   49      8   19   22   23   23   24   25   27   30   34   37   41   47   59   65   67   69   70   71   72 
LCS_GDT     E    38_A     E    38_A     23   26   49     11   19   22   23   23   24   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     L    39_A     L    39_A     23   26   49     11   19   22   23   23   24   25   27   30   34   37   43   54   60   65   67   69   70   71   72 
LCS_GDT     L    40_A     L    40_A     23   26   49      7   18   22   23   23   24   25   27   30   32   36   41   51   60   65   67   69   70   71   72 
LCS_GDT     E    41_A     E    41_A     23   26   49      4   15   22   23   23   24   25   27   30   34   37   43   55   60   65   67   69   70   71   72 
LCS_GDT     E    42_A     E    42_A     23   26   49     12   19   22   23   23   24   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     H    43_A     H    43_A     21   26   49      4    6    9   19   23   24   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     P    44_A     P    44_A      7   26   49      4    6    8   13   17   23   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     D    45_A     D    45_A     11   26   49      3    6   10   13   17   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     L    46_A     L    46_A     14   22   49      4    9   14   17   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     S    47_A     S    47_A     14   22   49      8   10   15   19   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     L    48_A     L    48_A     15   22   49      8   11   16   19   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     E    49_A     E    49_A     15   22   49      8   11   16   19   20   22   25   27   31   34   37   44   55   60   65   67   69   70   71   72 
LCS_GDT     E    50_A     E    50_A     15   22   49      8   11   16   19   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     K    51_A     K    51_A     15   22   49      8   11   16   19   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     L    52_A     L    52_A     15   22   49      8   11   16   19   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     A    53_A     A    53_A     15   22   49      8   11   16   19   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     E    54_A     E    54_A     15   22   49      8   11   16   19   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     L    55_A     L    55_A     15   22   49      7   11   16   19   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     L    56_A     L    56_A     15   22   49      7   11   16   19   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     R    57_A     R    57_A     15   22   49      7   11   16   19   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     F    58_A     F    58_A     15   22   49      7   11   16   19   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     F    59_A     F    59_A     15   22   49      7   11   16   19   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     V    60_A     V    60_A     15   22   49      7   11   16   19   20   22   25   27   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     E    61_A     E    61_A     15   22   49      6   11   16   19   20   22   25   27   31   34   37   43   55   60   65   67   69   70   71   72 
LCS_GDT     V    62_A     V    62_A     15   22   49      4   11   16   19   20   22   23   26   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     F    63_A     F    63_A     14   22   49      4   11   16   19   20   22   23   26   31   34   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     S    64_A     S    64_A     13   22   49      4    5   11   19   20   22   23   26   31   34   37   40   46   53   60   64   69   70   71   72 
LCS_GDT     K    65_A     K    65_A      5   22   49      4    5   13   19   20   22   25   27   31   34   37   40   43   48   51   55   60   66   69   72 
LCS_GDT     N    66_A     N    66_A      5   22   49      4    5   16   19   20   22   23   26   31   33   37   40   43   48   57   61   66   70   71   72 
LCS_GDT     F    67_A     F    67_A      3   22   49      1    5    8   13   20   22   23   26   27   33   37   46   55   60   65   67   69   70   71   72 
LCS_GDT     S    68_A     S    68_A      6   22   49      3    4    7    9   12   22   23   24   27   28   30   44   55   60   65   67   69   70   71   72 
LCS_GDT     P    69_A     P    69_A      6   18   49      5    5    7   12   20   22   23   26   27   29   36   46   55   60   65   67   69   70   71   72 
LCS_GDT     E    70_A     E    70_A      6   11   47      5    5    7    9   11   15   21   26   27   30   36   46   55   60   65   67   69   70   71   72 
LCS_GDT     A    71_A     A    71_A      6   11   46      5    5    6    9   11   14   20   26   27   30   36   45   55   60   65   67   69   70   71   72 
LCS_GDT     A    72_A     A    72_A      6   11   40      5    5    6    9   11   14   18   21   27   29   36   45   55   60   65   67   69   70   71   72 
LCS_GDT     V    73_A     V    73_A      6   11   40      5    5    6    9   11   13   17   18   23   27   32   38   45   58   65   67   69   70   71   72 
LCS_GDT     T    74_A     T    74_A      6   11   40      4    5    6    8   11   13   20   26   27   29   32   39   51   60   65   67   69   70   71   72 
LCS_GDT     F    75_A     F    75_A      6   11   40      4    5    7    9   11   14   19   21   24   30   36   45   55   60   65   67   69   70   71   72 
LCS_GDT     Y    76_A     Y    76_A      6   11   40      4    5    7    9   11   12   16   18   22   25   32   38   45   56   65   67   69   70   71   72 
LCS_GDT     Q    77_A     Q    77_A      6   11   40      3    5    7    9   11   12   16   18   22   24   29   34   39   46   61   67   69   70   71   72 
LCS_GDT     N    78_A     N    78_A      6   12   40      3    4    7    9   11   12   14   18   22   24   30   35   43   49   64   67   69   70   71   72 
LCS_GDT     F    79_A     F    79_A     12   13   34      7   10   11   12   12   12   13   14   17   19   26   27   29   32   39   45   47   56   64   69 
LCS_GDT     Y    80_A     Y    80_A     12   13   34      7   10   11   12   12   12   13   18   22   23   27   27   34   37   40   45   47   55   58   68 
LCS_GDT     E    81_A     E    81_A     12   13   34      7   10   11   12   12   12   14   18   22   24   27   29   36   37   41   46   50   56   58   68 
LCS_GDT     L    82_A     L    82_A     12   13   34      7   10   11   12   12   12   16   18   22   24   27   32   36   38   45   47   51   56   58   68 
LCS_GDT     L    83_A     L    83_A     12   13   34      7   10   11   12   12   12   16   18   22   24   28   34   36   41   45   47   51   56   58   68 
LCS_GDT     R    84_A     R    84_A     12   13   34      7   10   11   12   12   12   16   18   22   24   28   34   37   43   45   47   51   56   58   61 
LCS_GDT     T    85_A     T    85_A     12   13   34      7   10   11   12   12   12   16   18   22   24   29   34   37   43   45   48   51   56   58   61 
LCS_GDT     Y    86_A     Y    86_A     12   13   34      5   10   11   12   12   12   13   16   21   24   28   34   37   43   45   48   51   56   58   61 
LCS_GDT     A    87_A     A    87_A     12   13   34      4   10   11   12   12   12   13   16   21   24   29   34   37   43   45   48   51   56   58   61 
LCS_GDT     A    88_A     A    88_A     12   13   34      4    7   11   12   12   12   13   16   21   23   29   34   37   43   45   48   51   55   58   60 
LCS_GDT     V    89_A     V    89_A     12   13   34      4   10   11   12   12   12   13   16   21   23   28   34   37   43   45   48   51   55   57   59 
LCS_GDT     L    90_A     L    90_A     12   13   33      4    7   10   12   12   12   13   13   13   14   17   21   24   25   30   46   50   53   56   57 
LCS_GDT     H    91_A     H    91_A      3   13   18      3    3    3    5    7   11   13   13   13   13   13   15   16   17   18   19   20   25   25   26 
LCS_GDT     G    92_A     G    92_A      3    3   18      3    3    3    3    5    7    7    8    9   10   12   12   14   14   17   17   18   19   21   21 
LCS_AVERAGE  LCS_A:   6.43  (   3.49    4.80   10.98 )

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     19     22     23     23     24     25     27     31     34     37     46     55     60     65     67     69     70     71     72 
GDT PERCENT_AT   2.99   4.74   5.49   5.74   5.74   5.99   6.23   6.73   7.73   8.48   9.23  11.47  13.72  14.96  16.21  16.71  17.21  17.46  17.71  17.96
GDT RMS_LOCAL    0.25   0.55   0.72   0.80   0.80   1.09   1.33   2.64   3.05   3.34   3.59   5.01   5.25   5.44   5.67   5.80   5.91   5.97   6.03   6.11
GDT RMS_ALL_AT  16.79  16.72  16.17  16.32  16.32  16.23  15.83  17.37  15.18  15.69  15.20  11.81  11.42  11.27  11.06  10.96  10.95  10.97  11.03  10.93

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  F    14_A      F    14_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  F    63_A      F    63_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     5_A      E     5_A    25.467     0    0.066   1.047    27.607    0.000    0.000
LGA    L     6_A      L     6_A    24.152     0    0.032   0.082    26.092    0.000    0.000
LGA    A     7_A      A     7_A    30.335     0    0.098   0.098    32.626    0.000    0.000
LGA    A     8_A      A     8_A    28.366     0    0.304   0.291    28.719    0.000    0.000
LGA    M     9_A      M     9_A    28.006     0    0.153   0.907    30.348    0.000    0.000
LGA    S    10_A      S    10_A    26.054     0    0.083   0.104    26.901    0.000    0.000
LGA    E    11_A      E    11_A    22.806     0    0.038   0.649    23.813    0.000    0.000
LGA    A    12_A      A    12_A    23.584     0    0.027   0.035    24.424    0.000    0.000
LGA    E    13_A      E    13_A    25.943     0    0.076   0.918    31.609    0.000    0.000
LGA    F    14_A      F    14_A    24.777     0    0.029   0.069    25.050    0.000    0.000
LGA    R    15_A      R    15_A    23.636     0    0.175   1.041    24.594    0.000    0.000
LGA    A    16_A      A    16_A    25.267     0    0.061   0.062    26.010    0.000    0.000
LGA    L    17_A      L    17_A    26.238     0    0.115   1.409    30.489    0.000    0.000
LGA    L    18_A      L    18_A    23.837     0    0.580   0.642    24.820    0.000    0.000
LGA    Q    19_A      Q    19_A    20.980     0    0.033   1.427    21.954    0.000    0.000
LGA    G    20_A      G    20_A    19.757     0    0.615   0.615    20.151    0.000    0.000
LGA    K    21_A      K    21_A    17.454     0    0.062   0.714    19.765    0.000    0.000
LGA    K    22_A      K    22_A    14.121     0    0.026   1.038    17.169    0.000    0.000
LGA    E    23_A      E    23_A    15.209     0    0.066   0.665    16.452    0.000    0.000
LGA    T    24_A      T    24_A    15.300     0    0.024   0.222    17.113    0.000    0.000
LGA    L    25_A      L    25_A    12.204     0    0.071   1.290    13.455    0.000    0.000
LGA    K    26_A      K    26_A    10.161     0    0.027   0.464    13.007    0.357    0.159
LGA    N    27_A      N    27_A    11.629     0    0.063   0.106    15.142    0.000    0.000
LGA    I    28_A      I    28_A    10.960     0    0.017   0.104    14.037    1.071    0.536
LGA    I    29_A      I    29_A     7.159     0    0.090   0.113     8.548   14.048   14.464
LGA    K    30_A      K    30_A     6.659     0    0.015   0.183    12.637   15.357    7.937
LGA    E    31_A      E    31_A     8.072     0    0.022   0.927    15.029    8.810    3.968
LGA    L    32_A      L    32_A     6.971     0    0.036   1.418    11.513   18.929   10.357
LGA    D    33_A      D    33_A     3.055     0    0.024   1.380     4.762   52.262   47.500
LGA    E    34_A      E    34_A     3.182     0    0.068   0.801     7.425   53.690   36.720
LGA    K    35_A      K    35_A     4.497     0    0.025   0.662     8.701   37.143   22.116
LGA    I    36_A      I    36_A     4.918     0    0.065   0.765     6.307   32.976   26.131
LGA    K    37_A      K    37_A     3.298     0    0.038   0.139     4.153   48.333   47.143
LGA    E    38_A      E    38_A     1.895     0    0.014   0.454     5.565   62.976   48.095
LGA    L    39_A      L    39_A     4.685     0    0.058   0.147     6.655   29.524   23.929
LGA    L    40_A      L    40_A     5.463     0    0.137   1.350     6.326   26.310   27.262
LGA    E    41_A      E    41_A     4.276     0    0.309   0.385     4.989   41.905   37.354
LGA    E    42_A      E    42_A     3.420     0    0.011   0.161     3.623   48.333   50.053
LGA    H    43_A      H    43_A     3.445     0    0.133   0.702     6.181   51.905   39.000
LGA    P    44_A      P    44_A     2.672     0    0.165   0.220     3.637   62.976   55.510
LGA    D    45_A      D    45_A     2.583     0    0.098   0.236     3.397   60.952   55.476
LGA    L    46_A      L    46_A     1.391     0    0.089   0.240     1.858   79.286   76.071
LGA    S    47_A      S    47_A     1.104     0    0.072   0.101     1.193   81.429   84.444
LGA    L    48_A      L    48_A     1.852     0    0.014   1.385     6.379   72.857   53.571
LGA    E    49_A      E    49_A     2.320     0    0.081   1.122     2.817   66.786   65.873
LGA    E    50_A      E    50_A     1.886     0    0.034   1.325     5.416   72.857   60.476
LGA    K    51_A      K    51_A     1.472     0    0.047   1.053     2.765   81.429   78.836
LGA    L    52_A      L    52_A     1.342     0    0.053   0.049     2.162   81.429   75.119
LGA    A    53_A      A    53_A     2.066     0    0.018   0.017     2.663   66.786   64.857
LGA    E    54_A      E    54_A     2.442     0    0.029   0.105     4.167   64.762   53.016
LGA    L    55_A      L    55_A     1.925     0    0.051   1.403     2.756   72.857   73.274
LGA    L    56_A      L    56_A     1.001     0    0.057   1.374     3.059   83.690   77.679
LGA    R    57_A      R    57_A     0.534     0    0.062   1.072     5.787   85.952   54.113
LGA    F    58_A      F    58_A     2.655     0    0.091   1.569    10.736   59.286   30.173
LGA    F    59_A      F    59_A     3.199     0    0.067   1.131    10.174   51.786   27.706
LGA    V    60_A      V    60_A     2.767     0    0.022   0.050     3.267   55.357   58.299
LGA    E    61_A      E    61_A     2.878     0    0.095   0.299     4.570   47.262   56.190
LGA    V    62_A      V    62_A     5.255     0    0.212   1.308     8.253   22.619   21.361
LGA    F    63_A      F    63_A     6.614     0    0.037   1.061     7.285   16.310   20.000
LGA    S    64_A      S    64_A     5.759     0    0.026   0.665     6.750   25.119   22.540
LGA    K    65_A      K    65_A     2.975     0    0.320   1.171     9.853   40.952   31.799
LGA    N    66_A      N    66_A     6.400     0    0.644   0.905     7.498   17.976   16.131
LGA    F    67_A      F    67_A    11.026     0    0.574   0.533    12.745    0.357    0.130
LGA    S    68_A      S    68_A    15.111     0    0.707   0.644    16.932    0.000    0.000
LGA    P    69_A      P    69_A    13.886     0    0.151   0.210    15.270    0.000    0.000
LGA    E    70_A      E    70_A    17.107     0    0.075   0.898    18.817    0.000    0.000
LGA    A    71_A      A    71_A    16.839     0    0.048   0.052    17.372    0.000    0.000
LGA    A    72_A      A    72_A    16.568     0    0.353   0.340    17.256    0.000    0.000
LGA    V    73_A      V    73_A    20.016     0    0.166   1.120    23.910    0.000    0.000
LGA    T    74_A      T    74_A    18.270     0    0.051   1.045    18.797    0.000    0.000
LGA    F    75_A      F    75_A    13.996     0    0.054   1.265    15.381    0.000    0.000
LGA    Y    76_A      Y    76_A    18.565     0    0.113   1.329    20.524    0.000    0.000
LGA    Q    77_A      Q    77_A    21.320     0    0.402   1.227    22.666    0.000    0.000
LGA    N    78_A      N    78_A    18.760     0    0.589   1.166    19.924    0.000    0.000
LGA    F    79_A      F    79_A    23.114     0    0.583   1.339    28.027    0.000    0.000
LGA    Y    80_A      Y    80_A    26.949     0    0.087   0.364    35.988    0.000    0.000
LGA    E    81_A      E    81_A    27.775     0    0.021   1.248    27.906    0.000    0.000
LGA    L    82_A      L    82_A    23.986     0    0.042   0.094    25.150    0.000    0.000
LGA    L    83_A      L    83_A    24.396     0    0.073   0.145    25.829    0.000    0.000
LGA    R    84_A      R    84_A    29.012     0    0.034   1.003    35.116    0.000    0.000
LGA    T    85_A      T    85_A    28.392     0    0.124   1.185    28.768    0.000    0.000
LGA    Y    86_A      Y    86_A    25.436     0    0.032   0.464    26.521    0.000    0.000
LGA    A    87_A      A    87_A    26.855     0    0.048   0.043    28.317    0.000    0.000
LGA    A    88_A      A    88_A    30.265     0    0.078   0.078    31.758    0.000    0.000
LGA    V    89_A      V    89_A    30.044     0    0.192   1.306    31.437    0.000    0.000
LGA    L    90_A      L    90_A    28.965     0    0.621   1.416    30.303    0.000    0.000
LGA    H    91_A      H    91_A    32.589     0    0.714   0.544    35.385    0.000    0.000
LGA    G    92_A      G    92_A    31.325     0    0.096   0.096    33.204    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       88     352    352  100.00     723    723  100.00               401
SUMMARY(RMSD_GDC):     9.555          9.590                 10.061            4.776    4.128

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   88  401    4.0     27    2.64     8.479     7.273     0.985

LGA_LOCAL      RMSD:   2.641  Number of atoms:   27  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.372  Number of assigned atoms:   88 
Std_ASGN_ATOMS RMSD:   9.555  Standard rmsd on all 88 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.543119 * X  +   0.082633 * Y  +   0.835580 * Z  + -15.476562
  Y_new =  -0.051852 * X  +   0.989945 * Y  +  -0.131603 * Z  + -18.383200
  Z_new =  -0.838053 * X  +  -0.114803 * Y  +  -0.533373 * Z  +  32.933964 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.046410  0.993705 -2.929588   [DEG: -174.5464   56.9351 -167.8530 ]
ZXZ:  1.414581  2.133380 -1.706936   [DEG:   81.0495  122.2337  -97.8003 ]
 
# END of job
