
#######################################################
#                                                     #
#                        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   90 (  666),  selected   90 , name one
# Molecule2: number of CA atoms   92 (  680),  selected   90 , 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:    88       5_A - 92_A        4.95     5.41
  LCS_AVERAGE:     95.63

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75       9_A - 83_A        1.98     6.73
  LONGEST_CONTINUOUS_SEGMENT:    75      10_A - 84_A        1.92     6.78
  LCS_AVERAGE:     71.35

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      50_A - 80_A        0.99     6.84
  LONGEST_CONTINUOUS_SEGMENT:    31      51_A - 81_A        0.98     6.89
  LCS_AVERAGE:     22.32

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   90
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     M     3_A     M     3_A      3    4   87      3    3    3    3    5    5    5    5    7    9   10   37   42   43   48   59   63   72   75   82 
LCS_GDT     S     4_A     S     4_A      3    4   87      3    3    3    3    5   15   15   19   20   36   40   45   51   54   66   77   80   83   86   88 
LCS_GDT     G     5_A     G     5_A      3    5   88      3    3    3   12   14   15   15   19   30   36   40   45   51   64   75   78   80   84   86   88 
LCS_GDT     D     6_A     D     6_A      4    5   88      3    4    4   12   14   17   21   23   30   46   56   60   73   78   82   82   83   84   86   88 
LCS_GDT     N     7_A     N     7_A      4   27   88      3    4    4   12   18   29   39   57   63   76   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     G     8_A     G     8_A      4   73   88      3    9   26   34   49   64   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     G     9_A     G     9_A      5   75   88      3    4   11   24   38   51   65   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     G    10_A     G    10_A     10   75   88      4    9   18   35   51   65   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     E    11_A     E    11_A     23   75   88      4   12   28   44   61   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     R    12_A     R    12_A     23   75   88     11   28   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     R    13_A     R    13_A     23   75   88     14   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     K    14_A     K    14_A     23   75   88     14   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     G    15_A     G    15_A     23   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     S    16_A     S    16_A     23   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     V    17_A     V    17_A     23   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     K    18_A     K    18_A     23   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     W    19_A     W    19_A     23   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     F    20_A     F    20_A     23   75   88     14   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     D    21_A     D    21_A     23   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     T    22_A     T    22_A     23   75   88      6   16   31   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     Q    23_A     Q    23_A     23   75   88      7   23   45   55   61   65   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     K    24_A     K    24_A     23   75   88      6    8   27   49   61   65   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     G    25_A     G    25_A     23   75   88      6   15   30   52   61   65   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     F    26_A     F    26_A     23   75   88      7   22   45   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     G    27_A     G    27_A     23   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     F    28_A     F    28_A     23   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     I    29_A     I    29_A     23   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     T    30_A     T    30_A     23   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     P    31_A     P    31_A     23   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     D    32_A     D    32_A     23   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     D    33_A     D    33_A     23   75   88     13   29   51   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     G    34_A     G    34_A     15   75   88      4    5    8   19   32   60   67   73   75   77   77   77   80   80   82   82   83   84   86   88 
LCS_GDT     G    35_A     G    35_A     15   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     D    36_A     D    36_A     15   75   88     15   38   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     D    37_A     D    37_A     15   75   88     13   39   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     L    38_A     L    38_A     15   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     F    39_A     F    39_A     15   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     V    40_A     V    40_A     15   75   88     21   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     H    41_A     H    41_A     15   75   88      8   23   49   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     Q    42_A     Q    42_A     13   75   88     21   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     S    43_A     S    43_A     13   75   88     13   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     S    44_A     S    44_A     13   75   88     10   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     I    45_A     I    45_A     13   75   88     15   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     R    46_A     R    46_A     13   75   88      6   30   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     S    47_A     S    47_A     13   75   88      5   22   46   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     E    48_A     E    48_A      7   75   88      3    9   22   32   49   64   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     G    49_A     G    49_A     12   75   88      3   12   29   51   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     F    50_A     F    50_A     31   75   88      3   22   46   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     R    51_A     R    51_A     31   75   88     10   36   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     S    52_A     S    52_A     31   75   88     11   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     L    53_A     L    53_A     31   75   88     14   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     A    54_A     A    54_A     31   75   88     14   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     A    55_A     A    55_A     31   75   88      6   28   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     E    56_A     E    56_A     31   75   88     10   33   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     E    57_A     E    57_A     31   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     A    58_A     A    58_A     31   75   88     10   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     V    59_A     V    59_A     31   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     E    60_A     E    60_A     31   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     F    61_A     F    61_A     31   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     E    62_A     E    62_A     31   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     V    63_A     V    63_A     31   75   88     13   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     E    64_A     E    64_A     31   75   88     13   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     I    65_A     I    65_A     31   75   88     13   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     D    66_A     D    66_A     31   75   88     13   39   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     N    67_A     N    67_A     31   75   88     13   33   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     N    68_A     N    68_A     31   75   88      6   23   49   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     N    69_A     N    69_A     31   75   88     13   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   87 
LCS_GDT     R    70_A     R    70_A     31   75   88     13   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     P    71_A     P    71_A     31   75   88     21   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     K    72_A     K    72_A     31   75   88     21   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     A    73_A     A    73_A     31   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     I    74_A     I    74_A     31   75   88      8   38   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     D    75_A     D    75_A     31   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     V    76_A     V    76_A     31   75   88     23   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     S    77_A     S    77_A     31   75   88     19   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     G    78_A     G    78_A     31   75   88      9   40   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     P    79_A     P    79_A     31   75   88      3    9   34   56   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     D    80_A     D    80_A     31   75   88      4    8   40   56   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     G    81_A     G    81_A     31   75   88      4    8   40   56   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     A    82_A     A    82_A     27   75   88      4   20   53   58   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     P    83_A     P    83_A     10   75   88      4   10   28   52   62   67   71   74   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     V    84_A     V    84_A      5   75   88      3    6   10   19   28   47   65   72   75   77   77   78   80   80   82   82   83   84   86   88 
LCS_GDT     Q    85_A     Q    85_A      5   37   88      3    5   10   12   17   26   27   32   42   67   73   78   80   80   82   82   83   84   86   88 
LCS_GDT     G    86_A     G    86_A      5   27   88      3    5   10   15   21   26   31   40   54   67   73   77   80   80   82   82   83   84   86   88 
LCS_GDT     N    87_A     N    87_A      4    5   88      3    3    4    5    7   12   14   29   31   36   40   48   51   60   69   74   80   84   86   88 
LCS_GDT     S    88_A     S    88_A      4    5   88      3    3    4    4    7   12   14   27   31   32   36   40   46   52   56   67   77   81   86   88 
LCS_GDT     G    89_A     G    89_A      4    4   88      3    3    4    5    7   12   14   23   31   32   36   40   46   52   56   65   72   76   84   88 
LCS_GDT     G    90_A     G    90_A      4    4   88      3    3    4    4    7    8   14   15   16   18   28   31   38   40   44   58   66   68   73   88 
LCS_GDT     G    91_A     G    91_A      3    4   88      3    3    3    7   14   19   27   29   35   37   44   49   56   67   78   82   83   84   86   88 
LCS_GDT     S    92_A     S    92_A      3    4   88      3    3    4    8   12   18   26   29   35   42   56   69   76   78   82   82   83   84   86   88 
LCS_AVERAGE  LCS_A:  63.10  (  22.32   71.35   95.63 )

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     40     53     58     62     67     71     74     75     77     77     78     80     80     82     82     83     84     86     88 
GDT PERCENT_AT  25.00  43.48  57.61  63.04  67.39  72.83  77.17  80.43  81.52  83.70  83.70  84.78  86.96  86.96  89.13  89.13  90.22  91.30  93.48  95.65
GDT RMS_LOCAL    0.35   0.63   0.85   0.99   1.17   1.41   1.64   1.87   1.92   2.10   2.10   2.43   2.66   2.66   3.35   3.35   3.70   3.91   4.42   5.11
GDT RMS_ALL_AT   7.52   7.21   7.05   6.98   6.99   6.80   6.81   6.69   6.78   6.61   6.61   6.38   6.32   6.32   5.93   5.93   5.75   5.69   5.49   5.37

# Checking swapping
#   possible swapping detected:  E    11_A      E    11_A
#   possible swapping detected:  F    26_A      F    26_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  E    62_A      E    62_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    M     3_A      M     3_A    22.788     0    0.171   1.155    27.115    0.000    0.000
LGA    S     4_A      S     4_A    19.038     0    0.291   0.290    20.575    0.000    0.000
LGA    G     5_A      G     5_A    18.181     0    0.563   0.563    18.746    0.000    0.000
LGA    D     6_A      D     6_A    13.711     0    0.357   0.862    15.206    0.119    0.060
LGA    N     7_A      N     7_A     8.638     0    0.578   1.141    11.699   10.357    5.357
LGA    G     8_A      G     8_A     5.080     0    0.318   0.318     6.092   29.524   29.524
LGA    G     9_A      G     9_A     6.201     0    0.411   0.411     7.478   16.429   16.429
LGA    G    10_A      G    10_A     3.760     0    0.135   0.135     3.864   46.667   46.667
LGA    E    11_A      E    11_A     2.929     0    0.130   0.792     4.940   61.190   52.169
LGA    R    12_A      R    12_A     1.121     0    0.055   0.409     5.806   75.119   58.398
LGA    R    13_A      R    13_A     0.669     0    0.062   1.506     4.687   92.857   75.584
LGA    K    14_A      K    14_A     0.643     0    0.047   0.807     2.259   92.857   85.820
LGA    G    15_A      G    15_A     0.109     0    0.067   0.067     0.335  100.000  100.000
LGA    S    16_A      S    16_A     0.123     0    0.027   0.605     2.285  100.000   94.127
LGA    V    17_A      V    17_A     0.345     0    0.136   0.220     1.266   92.976   94.626
LGA    K    18_A      K    18_A     0.728     0    0.034   0.846     2.932   90.476   80.952
LGA    W    19_A      W    19_A     0.409     0    0.064   0.565     2.431   97.619   87.653
LGA    F    20_A      F    20_A     0.570     0    0.084   0.117     1.092   92.857   90.519
LGA    D    21_A      D    21_A     0.602     0    0.032   0.294     2.605   83.810   77.440
LGA    T    22_A      T    22_A     2.375     0    0.025   1.244     4.616   61.667   54.082
LGA    Q    23_A      Q    23_A     3.074     0    0.063   1.377     4.927   48.810   50.582
LGA    K    24_A      K    24_A     3.804     0    0.125   0.850     4.126   43.452   45.714
LGA    G    25_A      G    25_A     3.578     0    0.085   0.085     3.578   48.333   48.333
LGA    F    26_A      F    26_A     2.127     0    0.023   0.225     2.622   69.048   64.935
LGA    G    27_A      G    27_A     0.427     0    0.093   0.093     0.927   97.619   97.619
LGA    F    28_A      F    28_A     0.406     0    0.018   0.097     1.075  100.000   92.294
LGA    I    29_A      I    29_A     0.301     0    0.014   0.062     0.519  100.000   98.810
LGA    T    30_A      T    30_A     0.517     0    0.073   0.159     0.805   95.238   94.558
LGA    P    31_A      P    31_A     0.833     0    0.067   0.361     1.140   88.214   89.252
LGA    D    32_A      D    32_A     0.583     0    0.108   0.950     2.955   88.214   78.810
LGA    D    33_A      D    33_A     2.235     0    0.111   0.661     5.087   56.190   47.679
LGA    G    34_A      G    34_A     4.832     0    0.685   0.685     4.832   43.690   43.690
LGA    G    35_A      G    35_A     0.805     0    0.415   0.415     2.224   81.786   81.786
LGA    D    36_A      D    36_A     1.815     0    0.040   0.480     3.032   72.857   66.964
LGA    D    37_A      D    37_A     1.445     0    0.057   0.584     3.136   79.286   75.357
LGA    L    38_A      L    38_A     1.090     0    0.057   1.291     2.963   85.952   77.500
LGA    F    39_A      F    39_A     0.898     0    0.014   0.397     2.103   85.952   80.823
LGA    V    40_A      V    40_A     0.930     0    0.025   0.124     1.401   85.952   87.891
LGA    H    41_A      H    41_A     2.297     0    0.099   0.308     5.845   72.976   48.476
LGA    Q    42_A      Q    42_A     1.360     0    0.050   0.798     3.599   83.810   73.704
LGA    S    43_A      S    43_A     0.596     0    0.115   0.626     3.173   88.214   80.714
LGA    S    44_A      S    44_A     0.698     0    0.077   0.123     1.230   90.476   88.968
LGA    I    45_A      I    45_A     0.275     0    0.113   0.720     1.567   92.976   88.393
LGA    R    46_A      R    46_A     1.065     0    0.524   0.752     5.943   74.405   58.701
LGA    S    47_A      S    47_A     1.930     0    0.150   0.674     2.721   67.143   67.698
LGA    E    48_A      E    48_A     4.689     0    0.034   0.842    10.937   35.833   19.630
LGA    G    49_A      G    49_A     3.433     0    0.184   0.184     3.575   55.833   55.833
LGA    F    50_A      F    50_A     2.850     0    0.023   0.237     5.484   53.571   40.173
LGA    R    51_A      R    51_A     1.438     0    0.097   0.615     3.242   77.143   74.935
LGA    S    52_A      S    52_A     1.037     0    0.044   0.084     1.289   85.952   84.444
LGA    L    53_A      L    53_A     0.555     0    0.052   0.213     0.915   90.476   90.476
LGA    A    54_A      A    54_A     0.579     0    0.055   0.079     0.641   95.238   94.286
LGA    A    55_A      A    55_A     1.569     0    0.612   0.594     3.956   67.619   68.667
LGA    E    56_A      E    56_A     1.513     0    0.007   0.942     5.654   79.286   60.529
LGA    E    57_A      E    57_A     0.771     0    0.092   0.925     4.786   88.214   73.175
LGA    A    58_A      A    58_A     0.984     0    0.086   0.113     1.323   90.476   88.667
LGA    V    59_A      V    59_A     0.632     0    0.018   0.088     0.693   90.476   94.558
LGA    E    60_A      E    60_A     0.902     0    0.011   0.506     1.279   85.952   86.455
LGA    F    61_A      F    61_A     1.180     0    0.082   0.125     1.425   81.429   86.364
LGA    E    62_A      E    62_A     1.225     0    0.065   0.765     2.981   81.429   72.328
LGA    V    63_A      V    63_A     1.320     0    0.021   1.186     3.400   81.429   76.939
LGA    E    64_A      E    64_A     1.460     0    0.038   0.123     1.803   81.429   76.667
LGA    I    65_A      I    65_A     1.467     0    0.048   0.059     1.508   81.429   80.357
LGA    D    66_A      D    66_A     1.507     0    0.060   0.693     3.853   77.143   67.560
LGA    N    67_A      N    67_A     1.431     0    0.035   1.006     3.804   77.143   69.405
LGA    N    68_A      N    68_A     1.912     0    0.054   1.438     5.106   72.857   63.036
LGA    N    69_A      N    69_A     1.352     0    0.102   0.804     3.537   79.286   70.476
LGA    R    70_A      R    70_A     1.117     0    0.056   1.101     6.883   81.429   63.593
LGA    P    71_A      P    71_A     1.121     0    0.023   0.069     1.420   81.429   81.429
LGA    K    72_A      K    72_A     1.005     0    0.017   0.255     1.139   81.429   84.444
LGA    A    73_A      A    73_A     0.974     0    0.018   0.022     1.449   85.952   86.857
LGA    I    74_A      I    74_A     1.817     0    0.039   0.604     2.453   75.000   70.893
LGA    D    75_A      D    75_A     1.722     0    0.053   0.182     1.790   72.857   75.000
LGA    V    76_A      V    76_A     1.423     0    0.025   0.063     1.570   79.286   77.755
LGA    S    77_A      S    77_A     1.428     0    0.054   0.095     1.428   81.429   81.429
LGA    G    78_A      G    78_A     1.448     0    0.049   0.049     1.833   75.000   75.000
LGA    P    79_A      P    79_A     2.703     0    0.661   0.636     5.219   51.548   58.435
LGA    D    80_A      D    80_A     3.276     0    0.138   0.219     4.178   50.119   48.452
LGA    G    81_A      G    81_A     2.961     0    0.081   0.081     3.109   55.357   55.357
LGA    A    82_A      A    82_A     2.057     0    0.097   0.137     2.075   66.786   68.000
LGA    P    83_A      P    83_A     3.250     0    0.042   0.351     4.871   46.905   41.973
LGA    V    84_A      V    84_A     4.948     0    0.074   0.087     6.323   27.262   30.748
LGA    Q    85_A      Q    85_A     9.139     0    0.077   1.010    13.476    2.262    1.005
LGA    G    86_A      G    86_A     9.630     0    0.656   0.656    12.144    0.476    0.476
LGA    N    87_A      N    87_A    14.638     0    0.548   1.120    16.654    0.000    0.000
LGA    S    88_A      S    88_A    17.338     0    0.555   0.906    19.877    0.000    0.000
LGA    G    89_A      G    89_A    20.094     0    0.509   0.509    20.290    0.000    0.000
LGA    G    90_A      G    90_A    22.471     0    0.553   0.553    22.982    0.000    0.000
LGA    G    91_A      G    91_A    18.209     0    0.409   0.409    19.218    0.000    0.000
LGA    S    92_A      S    92_A    16.607     0    0.254   0.306    20.784    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       90     360    360  100.00     666    666  100.00                92
SUMMARY(RMSD_GDC):     5.357          5.295                  5.353           63.144   59.505

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   92    4.0     74    1.87    69.022    72.286     3.762

LGA_LOCAL      RMSD:   1.867  Number of atoms:   74  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.689  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   5.357  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.420977 * X  +  -0.830860 * Y  +   0.363936 * Z  +   6.363754
  Y_new =   0.629917 * X  +  -0.020909 * Y  +  -0.776381 * Z  + -18.740345
  Z_new =   0.652674 * X  +   0.556088 * Y  +   0.514570 * Z  + -22.874792 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.981660 -0.711109  0.824156   [DEG:   56.2450  -40.7435   47.2207 ]
ZXZ:  0.438344  1.030290  0.865134   [DEG:   25.1153   59.0312   49.5685 ]
 
# END of job
