
#######################################################
#                                                     #
#                        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:    91       1_A - 91_A        4.90     5.14
  LONGEST_CONTINUOUS_SEGMENT:    91       2_A - 92_A        4.88     5.14
  LCS_AVERAGE:     98.91

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       7_A - 83_A        1.99     5.52
  LCS_AVERAGE:     73.30

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      10_A - 33_A        0.91     5.89
  LCS_AVERAGE:     17.97

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      4    7   91      3    5    5    5    6    7    7    8    9   12   44   49   55   73   80   82   84   84   85   86 
LCS_GDT     H     2_A     H     2_A      4    7   91      3    5    5    5    6    7    7    8    9   12   16   37   63   76   80   83   84   84   85   86 
LCS_GDT     M     3_A     M     3_A      4    7   91      3    5    5    5    6    7    7    8   10   42   72   79   82   82   82   84   84   84   85   86 
LCS_GDT     S     4_A     S     4_A      4    7   91      3    3    4    5    6    7   33   64   71   77   81   81   82   82   83   84   84   84   85   86 
LCS_GDT     G     5_A     G     5_A      3   29   91      3    5    5    8   17   61   72   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     D     6_A     D     6_A      3   74   91      3    5    5    5    6   10   13   64   76   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     N     7_A     N     7_A      3   77   91      3    3    4    8   17   63   72   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     G     8_A     G     8_A      3   77   91      3   15   47   54   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     G     9_A     G     9_A      8   77   91      4    7   15   35   58   66   72   75   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     G    10_A     G    10_A     24   77   91      4   15   38   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     E    11_A     E    11_A     24   77   91      4   19   38   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     R    12_A     R    12_A     24   77   91      5   24   46   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     R    13_A     R    13_A     24   77   91     14   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     K    14_A     K    14_A     24   77   91     14   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     G    15_A     G    15_A     24   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     S    16_A     S    16_A     24   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     V    17_A     V    17_A     24   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     K    18_A     K    18_A     24   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     W    19_A     W    19_A     24   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     F    20_A     F    20_A     24   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     D    21_A     D    21_A     24   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     T    22_A     T    22_A     24   77   91      6   20   40   54   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     Q    23_A     Q    23_A     24   77   91      9   23   41   54   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     K    24_A     K    24_A     24   77   91      6   19   37   50   63   67   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     G    25_A     G    25_A     24   77   91      6   16   36   50   61   67   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     F    26_A     F    26_A     24   77   91      8   21   41   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     G    27_A     G    27_A     24   77   91     14   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     F    28_A     F    28_A     24   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     I    29_A     I    29_A     24   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     T    30_A     T    30_A     24   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     P    31_A     P    31_A     24   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     D    32_A     D    32_A     24   77   91     14   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     D    33_A     D    33_A     24   77   91     11   26   42   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     G    34_A     G    34_A     16   77   91      3    4    5   18   45   60   69   74   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     G    35_A     G    35_A     16   77   91     11   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     D    36_A     D    36_A     16   77   91     11   31   47   54   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     D    37_A     D    37_A     16   77   91     10   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     L    38_A     L    38_A     16   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     F    39_A     F    39_A     16   77   91     15   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     V    40_A     V    40_A     16   77   91     11   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     H    41_A     H    41_A     16   77   91      4   24   42   54   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     Q    42_A     Q    42_A     16   77   91      9   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     S    43_A     S    43_A     13   77   91     14   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     S    44_A     S    44_A     13   77   91      9   34   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     I    45_A     I    45_A     13   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     R    46_A     R    46_A     13   77   91      5   30   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     S    47_A     S    47_A     13   77   91      3   29   46   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     E    48_A     E    48_A     11   77   91      3    7   10   31   54   67   72   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     G    49_A     G    49_A     16   77   91      4   17   38   54   62   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     F    50_A     F    50_A     16   77   91      5   16   40   54   62   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     R    51_A     R    51_A     16   77   91      8   30   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     S    52_A     S    52_A     16   77   91     10   30   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     L    53_A     L    53_A     16   77   91     14   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     A    54_A     A    54_A     16   77   91     13   31   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     A    55_A     A    55_A     16   77   91      8   26   46   54   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     E    56_A     E    56_A     16   77   91      6   26   44   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     E    57_A     E    57_A     16   77   91     13   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     A    58_A     A    58_A     21   77   91     10   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     V    59_A     V    59_A     21   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     E    60_A     E    60_A     21   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     F    61_A     F    61_A     21   77   91      5   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     E    62_A     E    62_A     21   77   91     16   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     V    63_A     V    63_A     21   77   91      8   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     E    64_A     E    64_A     21   77   91      8   33   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     I    65_A     I    65_A     21   77   91      6   25   46   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     D    66_A     D    66_A     21   77   91      5   22   38   53   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     N    67_A     N    67_A     21   77   91      5   21   34   53   62   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     N    68_A     N    68_A     21   77   91      5   21   34   53   62   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     N    69_A     N    69_A     21   77   91      6   22   45   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     R    70_A     R    70_A     21   77   91      5   22   45   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     P    71_A     P    71_A     21   77   91      8   34   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     K    72_A     K    72_A     21   77   91      8   30   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     A    73_A     A    73_A     21   77   91      6   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     I    74_A     I    74_A     21   77   91      8   29   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     D    75_A     D    75_A     21   77   91     10   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     V    76_A     V    76_A     21   77   91     10   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     S    77_A     S    77_A     21   77   91     10   35   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     G    78_A     G    78_A     21   77   91     10   33   47   55   63   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     P    79_A     P    79_A     21   77   91      3   10   33   51   60   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     D    80_A     D    80_A     10   77   91      4   10   33   51   60   67   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     G    81_A     G    81_A     10   77   91      4    8   22   50   60   67   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     A    82_A     A    82_A      9   77   91      4   14   42   54   62   68   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     P    83_A     P    83_A      8   77   91      4    8   27   47   60   67   73   76   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     V    84_A     V    84_A      6   75   91      4    8   10   26   39   60   68   74   78   79   81   81   82   82   83   84   84   84   85   88 
LCS_GDT     Q    85_A     Q    85_A      6   18   91      4    6   10   12   18   25   28   34   51   60   72   78   82   82   83   84   84   84   85   88 
LCS_GDT     G    86_A     G    86_A      6   15   91      4    6   10   12   19   26   31   41   53   65   72   76   82   82   83   84   84   84   85   88 
LCS_GDT     N    87_A     N    87_A      3    6   91      3    3    5    5   12   14   14   24   28   37   40   51   55   69   75   79   81   84   85   88 
LCS_GDT     S    88_A     S    88_A      5    6   91      3    4    5    8   12   15   23   26   32   37   44   51   57   69   75   79   81   84   85   88 
LCS_GDT     G    89_A     G    89_A      5    6   91      3    4    5    5    7   15   23   27   32   37   40   47   54   62   71   73   81   82   84   88 
LCS_GDT     G    90_A     G    90_A      5    6   91      3    4    5    5   12   15   23   27   32   37   44   51   55   66   75   79   81   82   85   88 
LCS_GDT     G    91_A     G    91_A      5    6   91      3    4    5    5   12   14   20   26   32   37   44   51   57   67   71   79   81   82   84   88 
LCS_GDT     S    92_A     S    92_A      5    6   91      3    4    5    5    6    6   17   21   24   26   31   35   39   56   75   79   81   82   84   88 
LCS_AVERAGE  LCS_A:  63.39  (  17.97   73.30   98.91 )

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     16     35     47     55     63     68     73     76     78     79     81     81     82     82     83     84     84     84     85     88 
GDT PERCENT_AT  17.39  38.04  51.09  59.78  68.48  73.91  79.35  82.61  84.78  85.87  88.04  88.04  89.13  89.13  90.22  91.30  91.30  91.30  92.39  95.65
GDT RMS_LOCAL    0.33   0.65   0.89   1.21   1.41   1.59   1.78   1.91   2.04   2.10   2.27   2.27   2.44   2.44   2.64   2.79   2.79   2.79   3.18   4.47
GDT RMS_ALL_AT   5.79   5.86   5.74   5.52   5.65   5.48   5.51   5.54   5.49   5.50   5.52   5.52   5.54   5.54   5.41   5.42   5.42   5.42   5.61   5.26

# Checking swapping
#   possible swapping detected:  E    11_A      E    11_A
#   possible swapping detected:  F    26_A      F    26_A
#   possible swapping detected:  D    32_A      D    32_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  D    66_A      D    66_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    13.956     0    0.413   0.413    14.147    0.000    0.000
LGA    H     2_A      H     2_A    12.592     0    0.052   1.169    15.175    0.000    0.000
LGA    M     3_A      M     3_A     8.824     0    0.104   1.154    15.779    2.262    1.131
LGA    S     4_A      S     4_A     5.988     0    0.200   0.247     6.626   26.786   23.651
LGA    G     5_A      G     5_A     4.108     0    0.404   0.404     6.134   29.286   29.286
LGA    D     6_A      D     6_A     5.439     0    0.330   0.956     8.751   32.976   19.524
LGA    N     7_A      N     7_A     3.784     0    0.569   1.334     8.661   37.500   26.845
LGA    G     8_A      G     8_A     2.756     0    0.081   0.081     3.061   57.262   57.262
LGA    G     9_A      G     9_A     4.870     0    0.492   0.492     5.734   33.571   33.571
LGA    G    10_A      G    10_A     2.553     0    0.067   0.067     3.015   59.167   59.167
LGA    E    11_A      E    11_A     2.366     0    0.112   0.693     3.433   68.810   65.873
LGA    R    12_A      R    12_A     1.403     0    0.123   0.874     2.918   75.119   67.186
LGA    R    13_A      R    13_A     0.729     0    0.085   1.498     5.588   88.214   71.818
LGA    K    14_A      K    14_A     0.723     0    0.073   0.791     2.060   90.476   85.661
LGA    G    15_A      G    15_A     0.328     0    0.090   0.090     0.742   97.619   97.619
LGA    S    16_A      S    16_A     0.447     0    0.022   0.683     2.138  100.000   94.127
LGA    V    17_A      V    17_A     0.480     0    0.116   0.188     1.257   92.976   93.265
LGA    K    18_A      K    18_A     1.030     0    0.018   0.754     3.279   83.690   76.085
LGA    W    19_A      W    19_A     0.706     0    0.011   0.608     2.618   90.476   79.932
LGA    F    20_A      F    20_A     0.513     0    0.082   0.125     1.059   92.857   91.385
LGA    D    21_A      D    21_A     0.529     0    0.057   0.313     1.848   86.190   83.869
LGA    T    22_A      T    22_A     2.307     0    0.047   1.209     4.348   61.190   53.741
LGA    Q    23_A      Q    23_A     2.705     0    0.048   1.254     4.310   53.810   57.725
LGA    K    24_A      K    24_A     3.300     0    0.050   0.316     4.277   50.119   48.730
LGA    G    25_A      G    25_A     3.449     0    0.073   0.073     3.449   51.786   51.786
LGA    F    26_A      F    26_A     2.011     0    0.008   0.138     2.610   70.952   65.628
LGA    G    27_A      G    27_A     0.622     0    0.060   0.060     1.059   92.976   92.976
LGA    F    28_A      F    28_A     0.651     0    0.052   0.062     1.185   90.476   87.186
LGA    I    29_A      I    29_A     0.420     0    0.018   0.131     0.584   95.238   96.429
LGA    T    30_A      T    30_A     0.611     0    0.040   0.098     0.946   92.857   91.837
LGA    P    31_A      P    31_A     0.862     0    0.046   0.067     1.329   85.952   86.599
LGA    D    32_A      D    32_A     0.975     0    0.054   0.173     1.642   83.810   83.750
LGA    D    33_A      D    33_A     2.364     0    0.121   0.985     4.969   53.095   45.298
LGA    G    34_A      G    34_A     5.161     0    0.337   0.337     5.161   46.071   46.071
LGA    G    35_A      G    35_A     1.908     0    0.412   0.412     3.512   63.452   63.452
LGA    D    36_A      D    36_A     2.324     0    0.035   0.162     3.208   64.762   60.060
LGA    D    37_A      D    37_A     1.761     0    0.068   0.420     3.260   72.857   70.060
LGA    L    38_A      L    38_A     1.158     0    0.060   1.305     2.748   85.952   77.500
LGA    F    39_A      F    39_A     0.946     0    0.064   0.467     2.518   85.952   77.836
LGA    V    40_A      V    40_A     0.919     0    0.012   0.103     1.463   85.952   87.891
LGA    H    41_A      H    41_A     2.242     0    0.148   0.270     5.721   72.976   48.476
LGA    Q    42_A      Q    42_A     1.339     0    0.076   0.848     4.407   83.810   72.169
LGA    S    43_A      S    43_A     0.641     0    0.117   0.622     3.150   92.857   85.317
LGA    S    44_A      S    44_A     0.759     0    0.096   0.115     1.163   88.214   87.460
LGA    I    45_A      I    45_A     0.441     0    0.113   0.684     1.505   92.976   88.393
LGA    R    46_A      R    46_A     1.099     0    0.452   0.704     7.558   77.619   50.130
LGA    S    47_A      S    47_A     1.295     0    0.054   0.598     2.063   75.357   75.952
LGA    E    48_A      E    48_A     3.727     0    0.053   0.899     8.882   48.452   28.783
LGA    G    49_A      G    49_A     3.006     0    0.126   0.126     3.006   61.190   61.190
LGA    F    50_A      F    50_A     2.935     0    0.045   0.552     6.072   53.571   40.000
LGA    R    51_A      R    51_A     1.525     0    0.102   0.796     1.841   75.000   77.576
LGA    S    52_A      S    52_A     1.273     0    0.022   0.029     1.412   85.952   84.444
LGA    L    53_A      L    53_A     0.877     0    0.063   0.228     1.279   83.690   87.083
LGA    A    54_A      A    54_A     1.249     0    0.033   0.076     1.268   83.690   83.238
LGA    A    55_A      A    55_A     1.922     0    0.623   0.605     4.190   61.905   64.095
LGA    E    56_A      E    56_A     1.705     0    0.035   0.126     3.022   77.143   67.831
LGA    E    57_A      E    57_A     0.923     0    0.093   0.950     3.399   88.214   77.619
LGA    A    58_A      A    58_A     0.936     0    0.121   0.154     1.130   90.476   88.667
LGA    V    59_A      V    59_A     0.354     0    0.019   0.177     0.905   95.238   93.197
LGA    E    60_A      E    60_A     0.743     0    0.025   0.842     1.965   88.333   84.550
LGA    F    61_A      F    61_A     1.339     0    0.117   0.164     1.718   79.286   80.649
LGA    E    62_A      E    62_A     0.857     0    0.058   0.806     2.284   88.214   79.841
LGA    V    63_A      V    63_A     1.016     0    0.051   1.191     2.941   88.214   80.612
LGA    E    64_A      E    64_A     0.950     0    0.036   0.303     1.540   85.952   86.508
LGA    I    65_A      I    65_A     1.540     0    0.045   0.608     2.073   72.976   76.190
LGA    D    66_A      D    66_A     2.495     0    0.028   0.104     3.574   62.857   56.488
LGA    N    67_A      N    67_A     3.149     0    0.104   1.094     7.224   48.333   36.012
LGA    N    68_A      N    68_A     3.210     0    0.077   1.048     7.147   53.571   43.631
LGA    N    69_A      N    69_A     2.132     0    0.123   0.713     3.873   69.048   60.595
LGA    R    70_A      R    70_A     1.961     0    0.019   0.332     4.945   70.833   53.117
LGA    P    71_A      P    71_A     0.752     0    0.034   0.068     1.463   83.690   84.014
LGA    K    72_A      K    72_A     0.996     0    0.037   0.226     2.124   90.476   83.598
LGA    A    73_A      A    73_A     0.911     0    0.033   0.040     1.487   85.952   85.048
LGA    I    74_A      I    74_A     1.579     0    0.013   0.618     2.032   79.286   74.048
LGA    D    75_A      D    75_A     1.373     0    0.056   0.267     1.722   79.286   78.214
LGA    V    76_A      V    76_A     1.214     0    0.040   0.043     1.472   81.429   81.429
LGA    S    77_A      S    77_A     1.359     0    0.094   0.157     1.421   81.429   81.429
LGA    G    78_A      G    78_A     1.483     0    0.028   0.028     1.998   75.000   75.000
LGA    P    79_A      P    79_A     2.698     0    0.673   0.669     5.359   51.548   57.279
LGA    D    80_A      D    80_A     3.187     0    0.105   0.392     4.934   48.571   47.024
LGA    G    81_A      G    81_A     3.217     0    0.029   0.029     3.454   53.571   53.571
LGA    A    82_A      A    82_A     2.303     0    0.097   0.138     2.303   66.786   68.000
LGA    P    83_A      P    83_A     3.611     0    0.026   0.052     5.854   43.452   36.122
LGA    V    84_A      V    84_A     5.007     0    0.100   0.118     6.673   25.000   30.272
LGA    Q    85_A      Q    85_A     9.034     0    0.078   1.043    12.709    2.262    1.058
LGA    G    86_A      G    86_A     9.618     0    0.666   0.666    11.842    0.476    0.476
LGA    N    87_A      N    87_A    14.262     0    0.449   0.882    16.819    0.000    0.000
LGA    S    88_A      S    88_A    14.936     0    0.541   0.530    16.238    0.000    0.000
LGA    G    89_A      G    89_A    17.807     0    0.532   0.532    17.807    0.000    0.000
LGA    G    90_A      G    90_A    17.961     0    0.537   0.537    20.219    0.000    0.000
LGA    G    91_A      G    91_A    19.369     0    0.568   0.568    19.369    0.000    0.000
LGA    S    92_A      S    92_A    18.811     0    0.158   0.199    20.387    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):     5.122          5.096                  5.004           63.877   60.198

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     76    1.91    67.935    72.739     3.778

LGA_LOCAL      RMSD:   1.912  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.536  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   5.122  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.288087 * X  +   0.279016 * Y  +   0.916054 * Z  +   1.485180
  Y_new =   0.140572 * X  +  -0.933926 * Y  +   0.328668 * Z  +  -3.606532
  Z_new =   0.947230 * X  +   0.223457 * Y  +   0.229830 * Z  +   0.916293 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.687631 -1.244482  0.771339   [DEG:  153.9899  -71.3036   44.1945 ]
ZXZ:  1.915277  1.338893  1.339126   [DEG:  109.7373   76.7129   76.7263 ]
 
# END of job
