
#######################################################
#                                                     #
#                        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  102 (  824),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        2.13     2.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       6_A - 87_A        1.96     2.13
  LCS_AVERAGE:     98.78

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      10_A - 84_A        0.97     2.23
  LCS_AVERAGE:     82.13

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R     6_B     R     6_A      4   82   83      1   11   22   71   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      5   82   83      4    7   15   38   57   77   78   79   79   79   79   81   81   81   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A      5   82   83      4    7   21   61   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A      5   82   83      4    6   13   33   60   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A     75   82   83      4    6   20   71   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     75   82   83     11   59   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     75   82   83     22   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     75   82   83     34   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     75   82   83     40   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     75   82   83     40   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     75   82   83     34   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     75   82   83     34   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     75   82   83     35   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     75   82   83     44   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     75   82   83     40   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     75   82   83     40   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     75   82   83     26   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     75   82   83     30   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     75   82   83     38   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     75   82   83     39   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     75   82   83     40   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     75   82   83     39   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     75   82   83     43   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     75   82   83     34   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     75   82   83     10   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     75   82   83     10   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     75   82   83     22   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     75   82   83     44   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     75   82   83     32   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     75   82   83     35   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     75   82   83     45   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     75   82   83     44   64   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     75   82   83      8   60   70   73   73   76   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     75   82   83     11   63   71   73   75   77   78   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     75   82   83      5    9   42   67   73   74   76   79   79   79   79   81   81   82   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A      5   82   83      3    3    5   10   18   42   61   68   74   76   78   78   79   82   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A      3   82   83      3    6   17   34   51   64   68   74   75   76   78   81   81   82   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      3   82   83      3    3    3    4    4    6   36   68   74   76   78   81   81   82   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      3   81   83      3    3    3    4    4    5    6   10   49   76   78   78   79   82   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  93.64  (  82.13   98.78  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     45     64     71     73     75     77     78     79     79     79     79     81     81     82     83     83     83     83     83     83 
GDT PERCENT_AT  54.22  77.11  85.54  87.95  90.36  92.77  93.98  95.18  95.18  95.18  95.18  97.59  97.59  98.80 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.48   0.61   0.69   1.11   1.32   1.35   1.42   1.42   1.42   1.42   1.77   1.77   2.05   2.13   2.13   2.13   2.13   2.13   2.13
GDT RMS_ALL_AT   2.38   2.32   2.31   2.28   2.21   2.25   2.24   2.21   2.21   2.21   2.21   2.15   2.15   2.14   2.13   2.13   2.13   2.13   2.13   2.13

# Checking swapping
#   possible swapping detected:  E    17_B      E    17_A
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    19_B      E    19_A
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  D    38_B      D    38_A
#   possible swapping detected:  E    48_B      E    48_A
#   possible swapping detected:  D    60_B      D    60_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  D    78_B      D    78_A
#   possible swapping detected:  Y    79_B      Y    79_A
#   possible swapping detected:  E    88_B      E    88_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A     3.228     0    0.562   1.320     5.434   45.833   46.407
LGA    K     7_B      K     7_A     4.576     0    0.168   1.253     9.012   34.286   26.455
LGA    P     8_B      P     8_A     3.481     0    0.067   0.343     3.823   45.000   47.211
LGA    K     9_B      K     9_A     4.065     0    0.112   0.991     6.057   46.905   37.354
LGA    A    10_B      A    10_A     2.911     0    0.095   0.121     3.589   55.476   53.048
LGA    K    11_B      K    11_A     0.740     0    0.156   0.748     4.572   83.810   73.386
LGA    R    12_B      R    12_A     0.287     0    0.033   0.794     4.705   95.238   74.113
LGA    T    13_B      T    13_A     0.660     0    0.052   0.964     2.620   90.476   83.197
LGA    W    14_B      W    14_A     0.893     0    0.043   0.141     1.653   90.476   82.823
LGA    S    15_B      S    15_A     0.975     0    0.057   0.682     2.885   90.476   83.413
LGA    K    16_B      K    16_A     1.009     0    0.058   1.020     2.856   83.690   78.889
LGA    E    17_B      E    17_A     0.934     0    0.038   0.890     3.494   90.476   81.058
LGA    E    18_B      E    18_A     0.960     0    0.067   0.194     1.285   85.952   86.455
LGA    E    19_B      E    19_A     0.936     0    0.046   0.202     1.662   90.476   85.503
LGA    E    20_B      E    20_A     0.828     0    0.133   0.485     1.905   88.214   87.513
LGA    A    21_B      A    21_A     0.777     0    0.028   0.040     0.912   90.476   90.476
LGA    L    22_B      L    22_A     0.721     0    0.025   0.037     0.784   90.476   90.476
LGA    V    23_B      V    23_A     0.670     0    0.036   0.070     0.831   90.476   90.476
LGA    E    24_B      E    24_A     0.621     0    0.053   1.003     4.204   92.857   79.048
LGA    G    25_B      G    25_A     0.285     0    0.026   0.026     0.370  100.000  100.000
LGA    L    26_B      L    26_A     0.039     0    0.049   0.089     0.415  100.000  100.000
LGA    K    27_B      K    27_A     0.545     0    0.117   0.787     2.203   95.238   87.778
LGA    E    28_B      E    28_A     1.019     0    0.053   0.608     2.367   83.690   80.582
LGA    V    29_B      V    29_A     1.054     0    0.041   0.078     1.166   83.690   84.014
LGA    G    30_B      G    30_A     0.940     0    0.020   0.020     0.940   90.476   90.476
LGA    P    31_B      P    31_A     0.892     0    0.028   0.054     1.293   90.476   86.599
LGA    S    32_B      S    32_A     0.726     0    0.072   0.086     0.902   92.857   92.063
LGA    W    33_B      W    33_A     0.483     0    0.024   0.054     0.650   97.619   97.279
LGA    S    34_B      S    34_A     0.676     0    0.032   0.713     2.559   92.857   85.000
LGA    K    35_B      K    35_A     0.552     0    0.013   1.182     6.580   95.238   67.407
LGA    I    36_B      I    36_A     0.280     0    0.047   0.071     0.417  100.000  100.000
LGA    L    37_B      L    37_A     0.518     0    0.028   0.067     1.098   95.238   90.595
LGA    D    38_B      D    38_A     0.292     0    0.035   0.863     3.414  100.000   83.988
LGA    L    39_B      L    39_A     0.635     0    0.015   0.201     1.216   92.857   90.536
LGA    Y    40_B      Y    40_A     0.848     0    0.029   0.170     1.639   90.476   87.619
LGA    G    41_B      G    41_A     0.669     0    0.024   0.024     0.875   90.476   90.476
LGA    P    42_B      P    42_A     0.781     0    0.053   0.297     1.325   90.476   89.184
LGA    G    43_B      G    43_A     0.594     0    0.048   0.048     0.654   90.476   90.476
LGA    G    44_B      G    44_A     0.731     0    0.040   0.040     1.303   85.952   85.952
LGA    K    45_B      K    45_A     1.499     0    0.065   0.601     2.634   77.143   71.217
LGA    I    46_B      I    46_A     1.715     0    0.029   0.040     2.091   70.833   72.917
LGA    T    47_B      T    47_A     1.597     0    0.053   0.205     2.132   79.286   76.599
LGA    E    48_B      E    48_A     1.260     0    0.017   0.248     1.513   79.286   83.492
LGA    N    49_B      N    49_A     1.934     0    0.118   0.572     3.699   70.833   66.131
LGA    L    50_B      L    50_A     1.501     0    0.069   0.118     1.545   77.143   79.286
LGA    K    51_B      K    51_A     1.355     0    0.048   0.754     1.533   79.286   79.577
LGA    N    52_B      N    52_A     1.508     0    0.038   1.042     4.062   75.000   73.929
LGA    R    53_B      R    53_A     1.073     0    0.037   0.131     1.267   81.429   82.251
LGA    T    54_B      T    54_A     1.089     0    0.059   0.071     1.259   81.429   81.429
LGA    Q    55_B      Q    55_A     0.966     0    0.020   0.093     1.454   85.952   84.444
LGA    V    56_B      V    56_A     1.142     0    0.055   0.063     1.359   81.429   82.721
LGA    Q    57_B      Q    57_A     1.263     0    0.016   0.057     1.510   81.429   80.476
LGA    L    58_B      L    58_A     0.935     0    0.029   0.202     1.017   88.214   89.345
LGA    K    59_B      K    59_A     1.063     0    0.041   0.727     4.620   83.690   70.741
LGA    D    60_B      D    60_A     1.355     0    0.076   0.838     2.963   81.429   75.179
LGA    K    61_B      K    61_A     1.148     0    0.035   0.599     1.541   81.429   81.481
LGA    A    62_B      A    62_A     0.770     0    0.015   0.021     0.901   90.476   90.476
LGA    R    63_B      R    63_A     1.072     0    0.015   1.101     5.582   83.690   71.082
LGA    N    64_B      N    64_A     1.328     0    0.066   0.933     2.409   81.429   77.202
LGA    W    65_B      W    65_A     0.951     0    0.042   0.119     1.131   88.214   88.537
LGA    K    66_B      K    66_A     0.563     0    0.022   0.315     2.425   92.857   87.672
LGA    L    67_B      L    67_A     0.800     0    0.026   0.051     1.443   90.476   85.952
LGA    Q    68_B      Q    68_A     0.925     0    0.012   0.933     4.831   90.476   69.153
LGA    Y    69_B      Y    69_A     0.631     0    0.059   0.128     1.318   92.857   88.254
LGA    L    70_B      L    70_A     0.332     0    0.013   0.177     0.971   97.619   95.238
LGA    K    71_B      K    71_A     0.299     0    0.030   0.955     3.866   95.238   85.767
LGA    S    72_B      S    72_A     1.116     0    0.008   0.724     1.771   81.548   80.079
LGA    G    73_B      G    73_A     1.247     0    0.036   0.036     1.636   79.286   79.286
LGA    K    74_B      K    74_A     1.231     0    0.046   0.967     5.846   81.429   66.296
LGA    P    75_B      P    75_A     0.848     0    0.023   0.331     2.060   90.476   85.510
LGA    L    76_B      L    76_A     0.621     0    0.031   0.976     3.152   95.238   84.583
LGA    P    77_B      P    77_A     0.397     0    0.018   0.348     0.937   95.238   93.197
LGA    D    78_B      D    78_A     0.513     0    0.035   0.692     2.681   97.619   88.750
LGA    Y    79_B      Y    79_A     0.502     0    0.183   0.179     0.842   97.619   94.444
LGA    L    80_B      L    80_A     0.431     0    0.126   0.137     0.650   95.238   96.429
LGA    I    81_B      I    81_A     0.989     0    0.066   0.656     2.393   83.810   79.464
LGA    K    82_B      K    82_A     2.579     0    0.181   0.757     5.269   62.976   49.524
LGA    V    83_B      V    83_A     1.866     0    0.134   0.125     2.351   70.833   74.150
LGA    T    84_B      T    84_A     4.292     0    0.190   0.287     5.695   34.881   34.490
LGA    G    85_B      G    85_A     8.358     0    0.125   0.125     8.358   11.310   11.310
LGA    N    86_B      N    86_A     7.251     0    0.616   1.201     8.006    7.976    8.631
LGA    L    87_B      L    87_A     7.076     0    0.040   0.141    10.248   10.833    6.845
LGA    E    88_B      E    88_A     8.558     0    0.062   1.288    15.696    4.405    1.958

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     2.127          2.082                  2.526           80.704   76.660

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     79    1.42    90.060    93.465     5.183

LGA_LOCAL      RMSD:   1.424  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.212  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.127  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.538235 * X  +  -0.298377 * Y  +   0.788209 * Z  +  18.719563
  Y_new =  -0.675542 * X  +  -0.711940 * Y  +   0.191794 * Z  +   4.206204
  Z_new =   0.503931 * X  +  -0.635699 * Y  +  -0.584757 * Z  +  17.188740 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.898043 -0.528144 -2.314479   [DEG:  -51.4540  -30.2604 -132.6099 ]
ZXZ:  1.809487  2.195377  2.471307   [DEG:  103.6759  125.7858  141.5954 ]
 
# END of job
