
#######################################################
#                                                     #
#                        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:    89       4_A - 92_A        4.94     5.34
  LCS_AVERAGE:     96.69

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75       9_A - 83_A        1.97     6.75
  LONGEST_CONTINUOUS_SEGMENT:    75      10_A - 84_A        1.88     6.80
  LCS_AVERAGE:     71.26

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      50_A - 78_A        0.97     6.86
  LONGEST_CONTINUOUS_SEGMENT:    29      51_A - 79_A        0.99     6.94
  LCS_AVERAGE:     21.55

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   85      3    3    4    4    4    4    9   11   18   21   26   29   31   32   40   40   42   48   52   70 
LCS_GDT     S     4_A     S     4_A      3    4   89      3    3    4    4    4    4    5   15   18   21   26   38   43   46   62   67   83   85   88   89 
LCS_GDT     G     5_A     G     5_A      3    5   89      3    3    4    4    7    8    9   11   12   13   14   20   43   46   49   67   83   85   88   89 
LCS_GDT     D     6_A     D     6_A      4    5   89      4    4    4    5   10   17   21   25   32   41   54   61   72   76   81   83   83   86   88   89 
LCS_GDT     N     7_A     N     7_A      4    5   89      4    4    4    6    7   23   41   54   59   69   76   79   81   82   82   83   83   86   88   89 
LCS_GDT     G     8_A     G     8_A      4   72   89      4   16   21   28   43   60   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     G     9_A     G     9_A      4   75   89      4    4    6   10   27   42   57   71   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     G    10_A     G    10_A     12   75   89      3   11   20   41   58   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     E    11_A     E    11_A     23   75   89      4   14   29   54   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     R    12_A     R    12_A     23   75   89     11   26   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     R    13_A     R    13_A     23   75   89     13   39   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     K    14_A     K    14_A     23   75   89     13   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     G    15_A     G    15_A     23   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     S    16_A     S    16_A     23   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     V    17_A     V    17_A     23   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     K    18_A     K    18_A     23   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     W    19_A     W    19_A     23   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     F    20_A     F    20_A     23   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     D    21_A     D    21_A     23   75   89     21   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     T    22_A     T    22_A     23   75   89      6   17   43   58   62   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     Q    23_A     Q    23_A     23   75   89      7   27   46   55   62   67   71   73   75   77   77   78   81   82   82   83   83   86   88   89 
LCS_GDT     K    24_A     K    24_A     23   75   89      6   15   31   52   62   66   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     G    25_A     G    25_A     23   75   89      6   17   34   52   60   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     F    26_A     F    26_A     23   75   89      8   25   46   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     G    27_A     G    27_A     23   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     F    28_A     F    28_A     23   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     I    29_A     I    29_A     23   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     T    30_A     T    30_A     23   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     P    31_A     P    31_A     23   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     D    32_A     D    32_A     23   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     D    33_A     D    33_A     23   75   89     11   31   50   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     G    34_A     G    34_A     15   75   89      4    5    8   20   50   60   66   73   75   77   77   78   81   82   82   83   83   86   88   89 
LCS_GDT     G    35_A     G    35_A     15   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     D    36_A     D    36_A     15   75   89     11   36   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     D    37_A     D    37_A     15   75   89     11   36   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     L    38_A     L    38_A     15   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     F    39_A     F    39_A     15   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     V    40_A     V    40_A     15   75   89     21   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     H    41_A     H    41_A     15   75   89      6   23   48   56   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     Q    42_A     Q    42_A     13   75   89     21   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     S    43_A     S    43_A     13   75   89      9   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     S    44_A     S    44_A     13   75   89      6   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     I    45_A     I    45_A     13   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     R    46_A     R    46_A     13   75   89      5   38   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     S    47_A     S    47_A     13   75   89      9   27   51   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     E    48_A     E    48_A      8   75   89      4   14   22   33   51   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     G    49_A     G    49_A     17   75   89      4   22   43   57   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     F    50_A     F    50_A     29   75   89      4   21   45   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     R    51_A     R    51_A     29   75   89      9   35   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     S    52_A     S    52_A     29   75   89     11   32   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     L    53_A     L    53_A     29   75   89     14   37   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     A    54_A     A    54_A     29   75   89      9   34   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     A    55_A     A    55_A     29   75   89      9   23   50   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     E    56_A     E    56_A     29   75   89      6   31   51   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     E    57_A     E    57_A     29   75   89     17   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     A    58_A     A    58_A     29   75   89      9   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     V    59_A     V    59_A     29   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     E    60_A     E    60_A     29   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     F    61_A     F    61_A     29   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     E    62_A     E    62_A     29   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     V    63_A     V    63_A     29   75   89     21   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     E    64_A     E    64_A     29   75   89     21   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     I    65_A     I    65_A     29   75   89     13   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     D    66_A     D    66_A     29   75   89     13   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     N    67_A     N    67_A     29   75   89     13   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     N    68_A     N    68_A     29   75   89     13   35   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     N    69_A     N    69_A     29   75   89     13   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   87   89 
LCS_GDT     R    70_A     R    70_A     29   75   89     13   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     P    71_A     P    71_A     29   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     K    72_A     K    72_A     29   75   89     21   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     A    73_A     A    73_A     29   75   89     22   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     I    74_A     I    74_A     29   75   89      6   37   51   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     D    75_A     D    75_A     29   75   89     21   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     V    76_A     V    76_A     29   75   89     21   40   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     S    77_A     S    77_A     29   75   89     11   39   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     G    78_A     G    78_A     29   75   89     11   39   52   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     P    79_A     P    79_A     29   75   89      3    4   36   56   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     D    80_A     D    80_A     28   75   89      4   10   44   57   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     G    81_A     G    81_A     26   75   89      4   10   43   57   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     A    82_A     A    82_A     24   75   89      4   12   42   58   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     P    83_A     P    83_A     10   75   89      4    7   22   48   63   67   71   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     V    84_A     V    84_A      5   75   89      3    6    9   22   31   59   67   73   75   77   77   79   81   82   82   83   83   86   88   89 
LCS_GDT     Q    85_A     Q    85_A      5   49   89      3    5    9   12   16   26   27   35   62   72   76   79   81   82   82   83   83   86   88   89 
LCS_GDT     G    86_A     G    86_A      5   15   89      3    5    8   13   22   26   33   41   58   70   74   79   81   82   82   83   83   86   88   89 
LCS_GDT     N    87_A     N    87_A      4    7   89      3    4    4    5    8    9    9   12   25   33   38   42   68   73   77   82   83   86   88   89 
LCS_GDT     S    88_A     S    88_A      4    7   89      3    4    5    6   10   19   22   29   30   34   39   45   51   73   77   82   83   86   88   89 
LCS_GDT     G    89_A     G    89_A      4    7   89      3    4    5    6   10   13   18   26   30   33   36   41   46   50   59   82   83   85   88   89 
LCS_GDT     G    90_A     G    90_A      4    7   89      3    4    5    6   10   13   18   24   28   33   36   40   43   73   77   82   83   86   88   89 
LCS_GDT     G    91_A     G    91_A      3    7   89      3    3    9   12   15   22   27   33   41   48   69   76   80   82   82   83   83   86   88   89 
LCS_GDT     S    92_A     S    92_A      3    6   89      3    3    5   11   15   25   36   47   57   71   76   79   81   82   82   83   83   86   88   89 
LCS_AVERAGE  LCS_A:  63.16  (  21.55   71.26   96.69 )

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     22     40     52     58     63     67     71     73     75     77     77     79     81     82     82     83     83     86     88     89 
GDT PERCENT_AT  23.91  43.48  56.52  63.04  68.48  72.83  77.17  79.35  81.52  83.70  83.70  85.87  88.04  89.13  89.13  90.22  90.22  93.48  95.65  96.74
GDT RMS_LOCAL    0.37   0.62   0.87   1.03   1.25   1.39   1.62   1.74   1.88   2.13   2.13   2.89   2.96   3.20   3.20   3.48   3.48   4.19   4.94   4.94
GDT RMS_ALL_AT   7.31   7.22   7.01   7.03   6.85   6.87   6.94   6.81   6.80   6.59   6.59   6.02   6.07   5.92   5.92   5.79   5.79   5.54   5.33   5.34

# Checking swapping
#   possible swapping detected:  D     6_A      D     6_A
#   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    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    48_A      E    48_A
#   possible swapping detected:  F    61_A      F    61_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    27.366     0    0.037   1.486    34.098    0.000    0.000
LGA    S     4_A      S     4_A    21.900     0    0.081   0.117    24.322    0.000    0.000
LGA    G     5_A      G     5_A    21.634     0    0.480   0.480    22.070    0.000    0.000
LGA    D     6_A      D     6_A    15.581     0    0.450   1.297    17.736    0.000    0.000
LGA    N     7_A      N     7_A    10.504     0    0.645   1.355    12.820    3.690    1.845
LGA    G     8_A      G     8_A     6.548     0    0.352   0.352     8.105   15.357   15.357
LGA    G     9_A      G     9_A     7.075     0    0.450   0.450     7.443   12.619   12.619
LGA    G    10_A      G    10_A     3.745     0    0.174   0.174     4.105   45.119   45.119
LGA    E    11_A      E    11_A     2.790     0    0.166   0.792     3.134   61.190   65.238
LGA    R    12_A      R    12_A     1.406     0    0.123   1.004     5.380   71.071   58.528
LGA    R    13_A      R    13_A     0.756     0    0.071   1.457     4.606   90.476   75.974
LGA    K    14_A      K    14_A     0.641     0    0.052   0.818     2.041   92.857   85.820
LGA    G    15_A      G    15_A     0.194     0    0.077   0.077     0.502   97.619   97.619
LGA    S    16_A      S    16_A     0.248     0    0.013   0.650     2.151  100.000   92.540
LGA    V    17_A      V    17_A     0.208     0    0.124   0.177     0.978   97.619   97.279
LGA    K    18_A      K    18_A     0.529     0    0.021   0.763     2.625   95.238   85.926
LGA    W    19_A      W    19_A     0.348     0    0.050   0.532     2.417   97.619   88.299
LGA    F    20_A      F    20_A     0.348     0    0.099   0.127     0.985   97.619   94.805
LGA    D    21_A      D    21_A     0.559     0    0.038   0.333     2.353   86.190   81.786
LGA    T    22_A      T    22_A     2.502     0    0.062   1.226     4.491   57.619   51.701
LGA    Q    23_A      Q    23_A     3.123     0    0.033   1.182     4.800   46.905   51.429
LGA    K    24_A      K    24_A     3.758     0    0.096   0.883     4.184   43.452   47.937
LGA    G    25_A      G    25_A     3.626     0    0.059   0.059     3.626   48.333   48.333
LGA    F    26_A      F    26_A     1.996     0    0.019   0.131     2.736   73.214   65.758
LGA    G    27_A      G    27_A     0.257     0    0.067   0.067     0.795   97.619   97.619
LGA    F    28_A      F    28_A     0.427     0    0.026   0.103     1.149  100.000   91.472
LGA    I    29_A      I    29_A     0.373     0    0.013   0.048     0.568  100.000   98.810
LGA    T    30_A      T    30_A     0.489     0    0.061   0.137     0.786   95.238   95.918
LGA    P    31_A      P    31_A     0.661     0    0.072   0.076     0.871   90.476   90.476
LGA    D    32_A      D    32_A     0.714     0    0.051   0.214     1.227   85.952   89.405
LGA    D    33_A      D    33_A     2.368     0    0.144   0.892     5.806   56.190   46.310
LGA    G    34_A      G    34_A     4.851     0    0.640   0.640     4.851   43.690   43.690
LGA    G    35_A      G    35_A     1.055     0    0.408   0.408     2.434   77.262   77.262
LGA    D    36_A      D    36_A     1.650     0    0.041   0.234     2.200   72.857   71.845
LGA    D    37_A      D    37_A     1.489     0    0.078   0.526     3.036   79.286   74.286
LGA    L    38_A      L    38_A     0.950     0    0.049   1.308     2.529   88.214   79.702
LGA    F    39_A      F    39_A     0.877     0    0.036   0.329     2.048   88.214   81.645
LGA    V    40_A      V    40_A     1.024     0    0.019   0.096     1.663   79.405   82.857
LGA    H    41_A      H    41_A     2.413     0    0.120   0.305     5.936   72.976   47.952
LGA    Q    42_A      Q    42_A     1.456     0    0.067   0.908     4.204   81.548   73.757
LGA    S    43_A      S    43_A     0.851     0    0.087   0.089     1.390   88.214   85.952
LGA    S    44_A      S    44_A     1.091     0    0.038   0.100     1.480   83.690   82.937
LGA    I    45_A      I    45_A     0.567     0    0.130   0.702     1.338   88.214   87.083
LGA    R    46_A      R    46_A     0.945     0    0.482   0.688     7.291   79.881   53.853
LGA    S    47_A      S    47_A     1.616     0    0.078   0.641     2.469   73.214   73.095
LGA    E    48_A      E    48_A     4.476     0    0.445   1.100     9.501   33.690   20.476
LGA    G    49_A      G    49_A     2.918     0    0.181   0.181     2.918   62.976   62.976
LGA    F    50_A      F    50_A     2.893     0    0.082   0.757     6.447   53.571   40.173
LGA    R    51_A      R    51_A     1.338     0    0.152   0.978     1.910   77.143   77.532
LGA    S    52_A      S    52_A     1.363     0    0.013   0.047     1.597   85.952   83.016
LGA    L    53_A      L    53_A     0.781     0    0.079   0.229     1.167   88.214   89.345
LGA    A    54_A      A    54_A     1.070     0    0.035   0.069     1.141   88.214   86.857
LGA    A    55_A      A    55_A     1.616     0    0.612   0.595     3.833   67.619   68.667
LGA    E    56_A      E    56_A     1.679     0    0.007   0.183     3.452   77.143   64.497
LGA    E    57_A      E    57_A     0.836     0    0.073   0.949     4.149   85.952   76.243
LGA    A    58_A      A    58_A     0.960     0    0.116   0.157     1.177   88.214   86.857
LGA    V    59_A      V    59_A     0.369     0    0.042   0.123     0.530   97.619   98.639
LGA    E    60_A      E    60_A     0.680     0    0.021   0.606     1.522   88.214   85.503
LGA    F    61_A      F    61_A     1.042     0    0.070   0.163     1.249   83.690   87.186
LGA    E    62_A      E    62_A     1.000     0    0.018   0.785     2.510   83.690   75.979
LGA    V    63_A      V    63_A     1.143     0    0.022   1.197     3.043   81.429   75.714
LGA    E    64_A      E    64_A     1.160     0    0.032   0.357     1.998   81.429   81.481
LGA    I    65_A      I    65_A     1.190     0    0.041   0.600     1.356   83.690   82.560
LGA    D    66_A      D    66_A     1.240     0    0.065   0.811     3.418   81.429   72.381
LGA    N    67_A      N    67_A     1.109     0    0.098   1.194     4.149   81.429   71.012
LGA    N    68_A      N    68_A     1.438     0    0.053   1.215     4.817   81.429   70.000
LGA    N    69_A      N    69_A     1.010     0    0.111   0.967     3.948   83.690   72.679
LGA    R    70_A      R    70_A     0.879     0    0.061   0.189     2.347   88.214   79.437
LGA    P    71_A      P    71_A     0.877     0    0.075   0.095     1.184   90.476   87.891
LGA    K    72_A      K    72_A     0.837     0    0.016   0.312     1.797   90.476   85.503
LGA    A    73_A      A    73_A     0.839     0    0.035   0.042     1.390   85.952   86.857
LGA    I    74_A      I    74_A     1.781     0    0.040   0.603     2.354   77.143   71.964
LGA    D    75_A      D    75_A     1.510     0    0.073   0.223     1.701   77.143   79.286
LGA    V    76_A      V    76_A     1.327     0    0.029   0.034     1.573   79.286   80.204
LGA    S    77_A      S    77_A     1.434     0    0.046   0.078     1.520   81.429   80.000
LGA    G    78_A      G    78_A     1.523     0    0.059   0.059     1.685   72.857   72.857
LGA    P    79_A      P    79_A     2.619     0    0.672   0.679     5.401   51.548   57.279
LGA    D    80_A      D    80_A     3.013     0    0.130   0.415     4.678   50.119   48.631
LGA    G    81_A      G    81_A     2.927     0    0.053   0.053     3.267   55.357   55.357
LGA    A    82_A      A    82_A     2.300     0    0.095   0.134     2.300   66.786   68.000
LGA    P    83_A      P    83_A     3.490     0    0.036   0.056     5.513   45.119   37.891
LGA    V    84_A      V    84_A     4.783     0    0.087   0.101     6.511   26.310   31.020
LGA    Q    85_A      Q    85_A     8.974     0    0.069   0.804    12.133    3.333    1.534
LGA    G    86_A      G    86_A     9.837     0    0.662   0.662    12.581    0.476    0.476
LGA    N    87_A      N    87_A    14.874     0    0.282   0.842    17.511    0.000    0.000
LGA    S    88_A      S    88_A    16.563     0    0.551   0.525    16.963    0.000    0.000
LGA    G    89_A      G    89_A    18.631     0    0.457   0.457    18.631    0.000    0.000
LGA    G    90_A      G    90_A    18.878     0    0.534   0.534    18.960    0.000    0.000
LGA    G    91_A      G    91_A    14.535     0    0.252   0.252    15.821    0.000    0.000
LGA    S    92_A      S    92_A    13.347     0    0.282   0.335    17.876    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):     5.315          5.206                  5.403           63.417   60.259

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   92    4.0     73    1.74    69.022    72.372     3.966

LGA_LOCAL      RMSD:   1.741  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.812  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   5.315  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.634231 * X  +  -0.354792 * Y  +   0.686931 * Z  +  10.908098
  Y_new =  -0.199801 * X  +   0.933523 * Y  +   0.297682 * Z  +  -2.405337
  Z_new =  -0.746881 * X  +   0.051549 * Y  +  -0.662957 * Z  +   0.273353 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.836405  0.843359  3.063992   [DEG: -162.5141   48.3209  175.5538 ]
ZXZ:  1.979718  2.295558 -1.501886   [DEG:  113.4295  131.5258  -86.0517 ]
 
# END of job
