
#######################################################
#                                                     #
#                        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   92 (  680),  selected   92 , name one
# Molecule2: number of CA atoms   92 (  680),  selected   92 , 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:    92       1_A - 92_A        4.92     4.92
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    59       7_A - 65_A        1.99     5.98
  LONGEST_CONTINUOUS_SEGMENT:    59       8_A - 66_A        1.98     6.05
  LONGEST_CONTINUOUS_SEGMENT:    59      10_A - 68_A        2.00     6.06
  LCS_AVERAGE:     51.56

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      11_A - 33_A        0.98     5.86
  LCS_AVERAGE:     14.87

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   92
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     G     1_A     G     1_A      3    7   92      0    3    3    5    7    7    9   15   15   16   16   36   51   62   81   81   85   88   88   90 
LCS_GDT     H     2_A     H     2_A      4    7   92      3    4    4    4    7    9   23   38   58   70   75   78   80   84   85   86   87   88   88   90 
LCS_GDT     M     3_A     M     3_A      4    7   92      3    4    4    5    7   14   25   49   59   70   75   78   79   84   85   86   87   88   88   90 
LCS_GDT     S     4_A     S     4_A      4    7   92      3    4    4    5   16   31   45   52   59   70   75   78   80   84   85   86   87   88   88   90 
LCS_GDT     G     5_A     G     5_A      4    7   92      3    4    4    7   17   30   38   50   59   70   75   78   79   84   85   86   87   88   88   90 
LCS_GDT     D     6_A     D     6_A      4    7   92      3    6   10   13   21   41   61   66   69   73   75   79   80   84   85   86   87   88   88   90 
LCS_GDT     N     7_A     N     7_A      4   59   92      3   19   45   53   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     G     8_A     G     8_A      5   59   92      3    4   41   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     G     9_A     G     9_A      8   59   92      3    7   14   27   43   54   67   73   74   77   78   78   79   79   81   83   86   88   88   90 
LCS_GDT     G    10_A     G    10_A      8   59   92      3    7   19   32   53   62   68   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     E    11_A     E    11_A     23   59   92      3   11   29   49   58   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     R    12_A     R    12_A     23   59   92     11   30   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     R    13_A     R    13_A     23   59   92     10   35   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     K    14_A     K    14_A     23   59   92     13   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     G    15_A     G    15_A     23   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     S    16_A     S    16_A     23   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     V    17_A     V    17_A     23   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     K    18_A     K    18_A     23   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     W    19_A     W    19_A     23   59   92     20   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     F    20_A     F    20_A     23   59   92     13   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     D    21_A     D    21_A     23   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     T    22_A     T    22_A     23   59   92      7   29   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     Q    23_A     Q    23_A     23   59   92     10   27   45   54   60   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     K    24_A     K    24_A     23   59   92      7   18   36   54   58   64   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     G    25_A     G    25_A     23   59   92      7   18   33   51   58   64   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     F    26_A     F    26_A     23   59   92      7   20   43   54   60   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     G    27_A     G    27_A     23   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     F    28_A     F    28_A     23   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     I    29_A     I    29_A     23   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     T    30_A     T    30_A     23   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     P    31_A     P    31_A     23   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     D    32_A     D    32_A     23   59   92     13   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     D    33_A     D    33_A     23   59   92      3   19   43   54   58   64   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     G    34_A     G    34_A      9   59   92      3    8    9   19   25   58   65   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     G    35_A     G    35_A     13   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     D    36_A     D    36_A     13   59   92     19   37   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     D    37_A     D    37_A     13   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     L    38_A     L    38_A     13   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     F    39_A     F    39_A     13   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     V    40_A     V    40_A     13   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     H    41_A     H    41_A     13   59   92      8   24   42   53   60   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     Q    42_A     Q    42_A     13   59   92     22   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     S    43_A     S    43_A     13   59   92     11   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     S    44_A     S    44_A     13   59   92      6   32   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     I    45_A     I    45_A     13   59   92     13   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     R    46_A     R    46_A     13   59   92      6   25   45   53   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     S    47_A     S    47_A     13   59   92      8   20   34   51   58   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     E    48_A     E    48_A      6   59   92      5    6   17   31   44   56   64   69   72   76   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     G    49_A     G    49_A     11   59   92      5   13   32   48   58   65   69   72   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     F    50_A     F    50_A     17   59   92      5   16   36   53   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     R    51_A     R    51_A     17   59   92      8   30   46   53   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     S    52_A     S    52_A     17   59   92     10   37   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     L    53_A     L    53_A     17   59   92     15   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     A    54_A     A    54_A     17   59   92     15   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     A    55_A     A    55_A     17   59   92      7   32   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     E    56_A     E    56_A     17   59   92      7   29   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     E    57_A     E    57_A     17   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     A    58_A     A    58_A     17   59   92     15   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     V    59_A     V    59_A     17   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     E    60_A     E    60_A     17   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     F    61_A     F    61_A     17   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     E    62_A     E    62_A     17   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     V    63_A     V    63_A     17   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     E    64_A     E    64_A     17   59   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     I    65_A     I    65_A     17   59   92      4   27   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     D    66_A     D    66_A     17   59   92      5   11   42   53   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     N    67_A     N    67_A     17   59   92      7   17   37   48   61   64   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     N    68_A     N    68_A      6   59   92      3    5   10   47   56   63   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     N    69_A     N    69_A      6   58   92      3    5    9   27   54   62   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     R    70_A     R    70_A      6   36   92      3    5    6   21   34   63   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     P    71_A     P    71_A      8   36   92      3   12   44   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     K    72_A     K    72_A      8   36   92     10   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     A    73_A     A    73_A     10   36   92     10   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     I    74_A     I    74_A     10   36   92      6   26   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     D    75_A     D    75_A     10   36   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     V    76_A     V    76_A     10   36   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     S    77_A     S    77_A     10   36   92     23   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     G    78_A     G    78_A     10   36   92     14   38   46   54   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     P    79_A     P    79_A     10   36   92      3   13   38   53   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     D    80_A     D    80_A     10   36   92      4   17   38   53   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     G    81_A     G    81_A     10   36   92      4   18   38   53   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     A    82_A     A    82_A     10   36   92      8   21   44   53   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     P    83_A     P    83_A     10   36   92      4    9   23   50   61   65   69   73   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     V    84_A     V    84_A      5   36   92      3    6    7   15   21   27   58   70   76   77   78   79   80   84   85   86   87   88   88   90 
LCS_GDT     Q    85_A     Q    85_A      5   15   92      3    5    7   13   16   19   29   36   56   70   75   79   80   84   85   86   87   88   88   90 
LCS_GDT     G    86_A     G    86_A      5   15   92      3    5    8   13   18   21   29   39   60   70   75   79   80   84   85   86   87   88   88   90 
LCS_GDT     N    87_A     N    87_A      3    6   92      3    5    5    5    7    8   11   24   28   35   41   49   70   77   84   85   87   88   88   90 
LCS_GDT     S    88_A     S    88_A      3    6   92      3    5    5    5    7    8    9   11   18   20   33   35   38   42   46   69   77   81   87   90 
LCS_GDT     G    89_A     G    89_A      4    6   92      3    4    4    5    7    8    9   18   22   30   33   35   38   43   48   50   77   81   87   90 
LCS_GDT     G    90_A     G    90_A      4    6   92      3    5    5    5    6   11   15   24   28   30   33   39   42   47   57   74   77   84   88   90 
LCS_GDT     G    91_A     G    91_A      4    6   92      3    5    6   13   16   18   22   26   35   49   53   70   79   80   84   86   87   88   88   90 
LCS_GDT     S    92_A     S    92_A      4    6   92      3    4    8   13   16   18   29   42   52   62   67   77   80   84   85   86   87   88   88   90 
LCS_AVERAGE  LCS_A:  55.48  (  14.87   51.56  100.00 )

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     23     38     46     54     61     65     69     73     76     77     78     79     80     84     85     86     87     88     88     90 
GDT PERCENT_AT  25.00  41.30  50.00  58.70  66.30  70.65  75.00  79.35  82.61  83.70  84.78  85.87  86.96  91.30  92.39  93.48  94.57  95.65  95.65  97.83
GDT RMS_LOCAL    0.33   0.61   0.80   1.07   1.37   1.49   1.67   1.91   2.09   2.17   2.28   2.58   2.71   3.52   3.64   3.85   4.01   4.18   4.09   4.49
GDT RMS_ALL_AT   6.62   6.34   6.32   6.42   6.15   6.07   6.03   6.30   6.20   6.26   6.17   5.90   5.79   5.24   5.18   5.08   5.03   4.98   5.05   4.95

# Checking swapping
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  F    28_A      F    28_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    50_A      F    50_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  D    80_A      D    80_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    18.336     0    0.135   0.135    19.468    0.000    0.000
LGA    H     2_A      H     2_A    13.769     0    0.586   1.296    15.678    0.000    0.000
LGA    M     3_A      M     3_A    13.383     0    0.039   1.100    18.332    0.000    0.000
LGA    S     4_A      S     4_A    12.354     0    0.420   0.432    12.891    0.000    0.000
LGA    G     5_A      G     5_A    13.253     0    0.069   0.069    13.253    0.000    0.000
LGA    D     6_A      D     6_A     8.721     0    0.280   1.208    10.153    6.548    4.940
LGA    N     7_A      N     7_A     2.858     0    0.195   1.219     6.927   57.381   42.024
LGA    G     8_A      G     8_A     1.765     0    0.256   0.256     4.840   62.976   62.976
LGA    G     9_A      G     9_A     5.654     0    0.397   0.397     6.393   28.690   28.690
LGA    G    10_A      G    10_A     4.234     0    0.107   0.107     4.354   45.357   45.357
LGA    E    11_A      E    11_A     2.998     0    0.157   0.554     5.696   59.167   44.762
LGA    R    12_A      R    12_A     1.095     0    0.040   1.182     3.948   77.143   61.385
LGA    R    13_A      R    13_A     0.701     0    0.049   1.308     3.730   92.857   78.312
LGA    K    14_A      K    14_A     0.368     0    0.020   0.646     4.364   97.619   78.519
LGA    G    15_A      G    15_A     0.485     0    0.062   0.062     0.485  100.000  100.000
LGA    S    16_A      S    16_A     0.359     0    0.085   0.679     1.819   97.619   92.302
LGA    V    17_A      V    17_A     0.261     0    0.056   0.126     0.576   97.619   98.639
LGA    K    18_A      K    18_A     0.238     0    0.049   0.772     2.446  100.000   91.111
LGA    W    19_A      W    19_A     0.674     0    0.076   0.509     2.744   95.238   81.429
LGA    F    20_A      F    20_A     0.871     0    0.119   0.209     1.372   88.214   87.186
LGA    D    21_A      D    21_A     0.459     0    0.038   0.358     2.274   90.595   83.929
LGA    T    22_A      T    22_A     1.809     0    0.118   1.185     3.994   72.976   64.286
LGA    Q    23_A      Q    23_A     2.302     0    0.022   0.907     3.726   59.524   60.265
LGA    K    24_A      K    24_A     3.387     0    0.021   0.729     4.858   46.905   43.651
LGA    G    25_A      G    25_A     3.451     0    0.026   0.026     3.483   50.000   50.000
LGA    F    26_A      F    26_A     2.200     0    0.064   0.145     3.389   73.095   60.996
LGA    G    27_A      G    27_A     0.263     0    0.083   0.083     0.739   97.619   97.619
LGA    F    28_A      F    28_A     0.468     0    0.038   0.126     1.153  100.000   93.983
LGA    I    29_A      I    29_A     0.493     0    0.069   0.090     0.796   95.238   92.857
LGA    T    30_A      T    30_A     0.789     0    0.076   0.113     1.271   90.476   89.184
LGA    P    31_A      P    31_A     1.028     0    0.126   0.443     1.353   83.690   84.014
LGA    D    32_A      D    32_A     1.428     0    0.043   0.934     2.840   77.143   70.000
LGA    D    33_A      D    33_A     3.336     0    0.200   0.457     6.208   45.476   34.167
LGA    G    34_A      G    34_A     4.701     0    0.666   0.666     4.701   40.476   40.476
LGA    G    35_A      G    35_A     1.390     0    0.453   0.453     1.839   81.548   81.548
LGA    D    36_A      D    36_A     1.435     0    0.085   0.553     2.252   79.286   76.131
LGA    D    37_A      D    37_A     1.164     0    0.064   0.514     2.475   85.952   81.607
LGA    L    38_A      L    38_A     0.678     0    0.034   1.048     2.758   90.476   84.107
LGA    F    39_A      F    39_A     0.647     0    0.045   0.375     1.351   90.476   88.009
LGA    V    40_A      V    40_A     0.828     0    0.027   0.081     1.442   85.952   86.599
LGA    H    41_A      H    41_A     2.063     0    0.105   1.142     6.572   77.381   50.857
LGA    Q    42_A      Q    42_A     0.658     0    0.040   1.198     2.880   90.595   78.307
LGA    S    43_A      S    43_A     1.105     0    0.120   0.106     2.583   75.476   77.460
LGA    S    44_A      S    44_A     1.495     0    0.100   0.620     2.891   79.286   74.524
LGA    I    45_A      I    45_A     0.998     0    0.082   0.700     2.235   77.381   80.714
LGA    R    46_A      R    46_A     2.234     0    0.553   1.565     6.865   54.762   50.649
LGA    S    47_A      S    47_A     3.744     0    0.158   0.166     4.684   42.262   46.032
LGA    E    48_A      E    48_A     6.870     0    0.687   1.471    12.896   12.143    5.714
LGA    G    49_A      G    49_A     4.656     0    0.257   0.257     4.879   44.405   44.405
LGA    F    50_A      F    50_A     3.267     0    0.086   0.182     6.073   48.452   34.026
LGA    R    51_A      R    51_A     1.728     0    0.088   0.958     3.047   70.833   68.658
LGA    S    52_A      S    52_A     1.251     0    0.067   0.103     1.944   85.952   81.587
LGA    L    53_A      L    53_A     0.766     0    0.044   0.162     0.976   90.476   90.476
LGA    A    54_A      A    54_A     0.671     0    0.067   0.071     0.695   90.476   90.476
LGA    A    55_A      A    55_A     1.294     0    0.627   0.607     3.304   75.833   75.238
LGA    E    56_A      E    56_A     1.738     0    0.022   1.118     6.964   77.143   57.831
LGA    E    57_A      E    57_A     0.713     0    0.054   0.990     4.185   90.476   76.667
LGA    A    58_A      A    58_A     0.766     0    0.039   0.065     1.063   90.476   88.667
LGA    V    59_A      V    59_A     0.593     0    0.040   0.172     0.837   90.476   91.837
LGA    E    60_A      E    60_A     0.749     0    0.055   0.986     3.681   90.476   82.275
LGA    F    61_A      F    61_A     0.804     0    0.032   0.114     0.996   90.476   90.476
LGA    E    62_A      E    62_A     0.780     0    0.020   0.851     2.528   90.476   80.952
LGA    V    63_A      V    63_A     1.011     0    0.100   0.285     2.051   85.952   81.633
LGA    E    64_A      E    64_A     0.961     0    0.042   1.162     3.327   83.690   73.598
LGA    I    65_A      I    65_A     1.403     0    0.100   1.379     3.755   83.690   68.929
LGA    D    66_A      D    66_A     2.098     0    0.141   1.061     4.442   66.786   61.429
LGA    N    67_A      N    67_A     3.295     0    0.189   1.171     5.051   48.571   48.631
LGA    N    68_A      N    68_A     3.621     0    0.692   1.172     3.724   48.452   51.131
LGA    N    69_A      N    69_A     4.128     0    0.418   0.476     8.511   45.357   28.214
LGA    R    70_A      R    70_A     3.985     0    0.260   0.914    13.563   47.143   19.134
LGA    P    71_A      P    71_A     2.566     0    0.562   0.524     5.005   69.286   55.986
LGA    K    72_A      K    72_A     1.431     0    0.059   0.900     4.216   81.429   67.619
LGA    A    73_A      A    73_A     1.326     0    0.110   0.126     2.360   75.119   74.667
LGA    I    74_A      I    74_A     1.654     0    0.070   1.348     3.774   81.548   69.821
LGA    D    75_A      D    75_A     0.980     0    0.119   0.899     3.802   83.690   73.810
LGA    V    76_A      V    76_A     0.946     0    0.037   0.101     0.977   90.476   90.476
LGA    S    77_A      S    77_A     0.770     0    0.045   0.170     0.848   90.476   92.063
LGA    G    78_A      G    78_A     0.858     0    0.119   0.119     1.083   88.214   88.214
LGA    P    79_A      P    79_A     2.335     0    0.681   0.608     5.068   55.595   65.578
LGA    D    80_A      D    80_A     2.624     0    0.098   0.957     6.162   57.262   46.071
LGA    G    81_A      G    81_A     2.287     0    0.053   0.053     2.608   62.857   62.857
LGA    A    82_A      A    82_A     1.847     0    0.169   0.209     1.847   75.000   74.571
LGA    P    83_A      P    83_A     3.087     0    0.059   0.426     4.570   46.905   42.789
LGA    V    84_A      V    84_A     5.139     0    0.039   1.121     6.322   25.952   26.803
LGA    Q    85_A      Q    85_A     9.137     0    0.099   0.771    10.512    2.262    1.270
LGA    G    86_A      G    86_A     9.729     0    0.713   0.713    12.346    0.476    0.476
LGA    N    87_A      N    87_A    14.651     0    0.585   1.263    16.622    0.000    0.000
LGA    S    88_A      S    88_A    19.464     0    0.569   0.564    21.836    0.000    0.000
LGA    G    89_A      G    89_A    21.018     0    0.420   0.420    21.018    0.000    0.000
LGA    G    90_A      G    90_A    19.837     0    0.430   0.430    21.611    0.000    0.000
LGA    G    91_A      G    91_A    17.296     0    0.704   0.704    17.541    0.000    0.000
LGA    S    92_A      S    92_A    14.840     0    0.317   0.660    15.985    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     680    680  100.00                92
SUMMARY(RMSD_GDC):     4.917          4.860                  4.995           62.774   58.094

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     73    1.91    68.207    66.408     3.638

LGA_LOCAL      RMSD:   1.907  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.299  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   4.917  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.421190 * X  +  -0.681367 * Y  +  -0.598614 * Z  +  -8.753942
  Y_new =   0.648977 * X  +  -0.687477 * Y  +   0.325890 * Z  +  -8.698094
  Z_new =  -0.633584 * X  +  -0.251225 * Y  +   0.731750 * Z  +   6.600819 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.146472  0.686177 -0.330712   [DEG:  122.9838   39.3150  -18.9484 ]
ZXZ: -2.069336  0.749911 -1.948294   [DEG: -118.5642   42.9667 -111.6290 ]
 
# END of job
