
#######################################################
#                                                     #
#                        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        3.45     3.45
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       9_A - 88_A        1.78     3.55
  LCS_AVERAGE:     93.12

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      11_A - 85_A        0.99     3.65
  LONGEST_CONTINUOUS_SEGMENT:    75      12_A - 86_A        0.99     3.65
  LCS_AVERAGE:     83.15

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    5   83      3    4    4    4    4    5    6    7    8    8   10   11   11   12   13   14   16   17   27   29 
LCS_GDT     K     7_B     K     7_A      4    5   83      3    4    4    4    4    5    6    7    8    8   10   11   11   12   13   14   16   22   27   43 
LCS_GDT     P     8_B     P     8_A      4    5   83      3    4    4    4    4    5    6    7    8    8   10   11   11   12   13   18   72   80   81   81 
LCS_GDT     K     9_B     K     9_A      4   80   83      3    4    4    4   11   20   48   76   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     A    10_B     A    10_A      4   80   83      3    3    7   11   45   68   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     K    11_B     K    11_A     75   80   83      3    3    4    4   11   67   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     R    12_B     R    12_A     75   80   83     20   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     T    13_B     T    13_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     W    14_B     W    14_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     S    15_B     S    15_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     K    16_B     K    16_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     E    17_B     E    17_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     E    18_B     E    18_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     E    19_B     E    19_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     E    20_B     E    20_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     A    21_B     A    21_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     L    22_B     L    22_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     V    23_B     V    23_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     E    24_B     E    24_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     G    25_B     G    25_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     L    26_B     L    26_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     K    27_B     K    27_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     E    28_B     E    28_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     V    29_B     V    29_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     G    30_B     G    30_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     P    31_B     P    31_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     S    32_B     S    32_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     W    33_B     W    33_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     S    34_B     S    34_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     K    35_B     K    35_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     I    36_B     I    36_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     L    37_B     L    37_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     D    38_B     D    38_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     L    39_B     L    39_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     Y    40_B     Y    40_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     G    41_B     G    41_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     P    42_B     P    42_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     G    43_B     G    43_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     G    44_B     G    44_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     K    45_B     K    45_A     75   80   83     59   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     I    46_B     I    46_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     T    47_B     T    47_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     E    48_B     E    48_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     N    49_B     N    49_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     L    50_B     L    50_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     K    51_B     K    51_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     N    52_B     N    52_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     R    53_B     R    53_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     T    54_B     T    54_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     Q    55_B     Q    55_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     V    56_B     V    56_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     Q    57_B     Q    57_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     L    58_B     L    58_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     K    59_B     K    59_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     D    60_B     D    60_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     K    61_B     K    61_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     A    62_B     A    62_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     R    63_B     R    63_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     N    64_B     N    64_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     W    65_B     W    65_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     K    66_B     K    66_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     L    67_B     L    67_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     Q    68_B     Q    68_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     Y    69_B     Y    69_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     L    70_B     L    70_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     K    71_B     K    71_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     S    72_B     S    72_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     G    73_B     G    73_A     75   80   83     17   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     K    74_B     K    74_A     75   80   83     22   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     P    75_B     P    75_A     75   80   83     28   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     L    76_B     L    76_A     75   80   83     57   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     P    77_B     P    77_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     D    78_B     D    78_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     Y    79_B     Y    79_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     L    80_B     L    80_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     I    81_B     I    81_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     K    82_B     K    82_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     V    83_B     V    83_A     75   80   83     64   72   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     T    84_B     T    84_A     75   80   83     28   68   73   73   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     G    85_B     G    85_A     75   80   83      4    7   19   26   64   69   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     N    86_B     N    86_A     75   80   83      3    4   19   28   48   67   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     L    87_B     L    87_A      4   80   83      3    3    4    8   10   11   40   62   77   80   80   80   80   80   80   80   80   80   81   81 
LCS_GDT     E    88_B     E    88_A      4   80   83      3    3   20   63   74   74   75   78   79   80   80   80   80   80   80   80   80   80   81   81 
LCS_AVERAGE  LCS_A:  92.09  (  83.15   93.12  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     64     72     73     73     74     74     75     78     79     80     80     80     80     80     80     80     80     80     81     81 
GDT PERCENT_AT  77.11  86.75  87.95  87.95  89.16  89.16  90.36  93.98  95.18  96.39  96.39  96.39  96.39  96.39  96.39  96.39  96.39  96.39  97.59  97.59
GDT RMS_LOCAL    0.30   0.38   0.40   0.40   0.64   0.64   1.05   1.42   1.61   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   2.30   2.30
GDT RMS_ALL_AT   3.69   3.70   3.70   3.70   3.67   3.67   3.64   3.59   3.56   3.55   3.55   3.55   3.55   3.55   3.55   3.55   3.55   3.55   3.50   3.50

# Checking swapping
#   possible swapping detected:  Y    69_B      Y    69_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    19.067     0    0.675   1.325    19.916    0.000    0.000
LGA    K     7_B      K     7_A    16.072     0    0.091   1.255    16.774    0.000    0.000
LGA    P     8_B      P     8_A    13.681     0    0.262   0.504    16.413    0.357    0.204
LGA    K     9_B      K     9_A     6.991     0    0.656   1.043     9.715   13.095   14.550
LGA    A    10_B      A    10_A     5.688     0    0.661   0.610     7.285   17.500   18.286
LGA    K    11_B      K    11_A     5.315     0    0.143   1.069    14.848   37.024   17.407
LGA    R    12_B      R    12_A     1.408     0    0.564   0.863    13.726   75.119   33.117
LGA    T    13_B      T    13_A     0.326     0    0.084   1.101     2.532   97.619   87.483
LGA    W    14_B      W    14_A     0.152     0    0.047   0.121     0.904  100.000   95.238
LGA    S    15_B      S    15_A     0.092     0    0.029   0.028     0.223  100.000  100.000
LGA    K    16_B      K    16_A     0.107     0    0.006   0.907     2.520  100.000   85.291
LGA    E    17_B      E    17_A     0.309     0    0.039   0.830     3.253  100.000   85.767
LGA    E    18_B      E    18_A     0.236     0    0.028   0.113     0.396  100.000  100.000
LGA    E    19_B      E    19_A     0.268     0    0.011   0.119     0.337  100.000  100.000
LGA    E    20_B      E    20_A     0.319     0    0.028   0.116     0.446  100.000  100.000
LGA    A    21_B      A    21_A     0.227     0    0.012   0.015     0.281  100.000  100.000
LGA    L    22_B      L    22_A     0.260     0    0.023   0.026     0.413  100.000  100.000
LGA    V    23_B      V    23_A     0.320     0    0.024   1.337     2.632  100.000   88.844
LGA    E    24_B      E    24_A     0.300     0    0.020   0.342     1.275  100.000   95.820
LGA    G    25_B      G    25_A     0.336     0    0.024   0.024     0.353  100.000  100.000
LGA    L    26_B      L    26_A     0.215     0    0.024   1.259     2.613  100.000   90.238
LGA    K    27_B      K    27_A     0.128     0    0.073   0.899     2.688  100.000   92.116
LGA    E    28_B      E    28_A     0.331     0    0.028   0.788     3.163  100.000   82.698
LGA    V    29_B      V    29_A     0.208     0    0.026   0.049     0.338  100.000  100.000
LGA    G    30_B      G    30_A     0.166     0    0.042   0.042     0.166  100.000  100.000
LGA    P    31_B      P    31_A     0.201     0    0.035   0.069     0.407  100.000  100.000
LGA    S    32_B      S    32_A     0.349     0    0.048   0.700     2.286  100.000   94.127
LGA    W    33_B      W    33_A     0.207     0    0.032   0.105     0.289  100.000  100.000
LGA    S    34_B      S    34_A     0.182     0    0.014   0.627     2.572  100.000   92.857
LGA    K    35_B      K    35_A     0.312     0    0.021   0.638     2.498  100.000   96.085
LGA    I    36_B      I    36_A     0.408     0    0.021   0.036     0.513  100.000   98.810
LGA    L    37_B      L    37_A     0.554     0    0.012   1.257     3.273   92.857   84.405
LGA    D    38_B      D    38_A     0.439     0    0.053   0.138     0.615  100.000   98.810
LGA    L    39_B      L    39_A     0.458     0    0.045   1.225     2.514   95.238   87.857
LGA    Y    40_B      Y    40_A     0.629     0    0.019   0.097     0.881   90.476   92.063
LGA    G    41_B      G    41_A     0.548     0    0.016   0.016     0.581   90.476   90.476
LGA    P    42_B      P    42_A     0.578     0    0.028   0.322     0.961   92.857   91.837
LGA    G    43_B      G    43_A     0.530     0    0.028   0.028     0.596   95.238   95.238
LGA    G    44_B      G    44_A     0.447     0    0.021   0.021     0.514   97.619   97.619
LGA    K    45_B      K    45_A     0.564     0    0.069   0.597     2.520   90.476   83.016
LGA    I    46_B      I    46_A     0.698     0    0.045   0.074     0.920   90.476   90.476
LGA    T    47_B      T    47_A     0.758     0    0.025   0.160     0.816   90.476   90.476
LGA    E    48_B      E    48_A     0.721     0    0.020   0.147     0.773   90.476   94.709
LGA    N    49_B      N    49_A     0.840     0    0.036   0.356     1.335   90.476   88.214
LGA    L    50_B      L    50_A     0.721     0    0.028   1.249     2.854   90.476   83.095
LGA    K    51_B      K    51_A     0.672     0    0.044   0.936     2.483   90.476   85.608
LGA    N    52_B      N    52_A     0.763     0    0.009   1.125     2.958   90.476   84.107
LGA    R    53_B      R    53_A     0.397     0    0.036   0.207     0.705   92.857   97.403
LGA    T    54_B      T    54_A     0.731     0    0.027   0.046     0.891   90.476   90.476
LGA    Q    55_B      Q    55_A     0.868     0    0.020   0.131     1.005   90.476   89.471
LGA    V    56_B      V    56_A     0.842     0    0.028   1.345     3.438   90.476   82.177
LGA    Q    57_B      Q    57_A     0.835     0    0.017   0.044     0.997   90.476   90.476
LGA    L    58_B      L    58_A     0.585     0    0.011   1.241     2.775   90.476   83.095
LGA    K    59_B      K    59_A     0.527     0    0.050   1.062     4.689   90.476   77.460
LGA    D    60_B      D    60_A     0.758     0    0.048   0.112     0.894   90.476   90.476
LGA    K    61_B      K    61_A     0.512     0    0.018   0.514     1.288   95.238   93.704
LGA    A    62_B      A    62_A     0.368     0    0.009   0.009     0.459  100.000  100.000
LGA    R    63_B      R    63_A     0.581     0    0.012   0.771     2.882   92.857   86.753
LGA    N    64_B      N    64_A     0.740     0    0.016   0.115     1.038   90.476   89.345
LGA    W    65_B      W    65_A     0.417     0    0.020   0.051     0.538   97.619   99.320
LGA    K    66_B      K    66_A     0.573     0    0.017   0.112     1.856   90.476   86.508
LGA    L    67_B      L    67_A     0.729     0    0.018   1.252     3.545   90.476   83.452
LGA    Q    68_B      Q    68_A     0.516     0    0.048   1.034     5.129   95.238   73.651
LGA    Y    69_B      Y    69_A     0.454     0    0.017   0.145     0.895   95.238   93.651
LGA    L    70_B      L    70_A     0.973     0    0.009   1.246     3.616   85.952   78.929
LGA    K    71_B      K    71_A     1.045     0    0.011   1.405     6.468   85.952   66.614
LGA    S    72_B      S    72_A     0.764     0    0.042   0.622     2.440   85.952   83.175
LGA    G    73_B      G    73_A     1.383     0    0.027   0.027     1.673   79.286   79.286
LGA    K    74_B      K    74_A     1.336     0    0.021   0.968     5.069   81.429   68.307
LGA    P    75_B      P    75_A     1.474     0    0.034   0.073     1.676   81.429   77.755
LGA    L    76_B      L    76_A     0.952     0    0.046   1.325     2.717   90.595   79.940
LGA    P    77_B      P    77_A     0.448     0    0.044   0.070     0.573   97.619   95.918
LGA    D    78_B      D    78_A     0.391     0    0.014   0.436     2.210  100.000   92.083
LGA    Y    79_B      Y    79_A     0.319     0    0.063   0.136     0.554  100.000   99.206
LGA    L    80_B      L    80_A     0.395     0    0.034   1.253     2.886  100.000   90.238
LGA    I    81_B      I    81_A     0.443     0    0.027   0.668     2.216   97.619   90.833
LGA    K    82_B      K    82_A     0.688     0    0.078   0.684     2.273   90.476   82.751
LGA    V    83_B      V    83_A     0.447     0    0.060   1.327     2.579   97.619   87.483
LGA    T    84_B      T    84_A     1.416     0    0.436   1.315     5.657   75.119   61.293
LGA    G    85_B      G    85_A     4.632     0    0.356   0.356     6.397   31.190   31.190
LGA    N    86_B      N    86_A     5.450     0    0.237   1.312     8.691   33.095   25.655
LGA    L    87_B      L    87_A     7.259     0    0.069   1.163    13.623   13.452    6.905
LGA    E    88_B      E    88_A     3.952     0    0.028   0.851     9.074   49.881   29.312

# 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):     3.447          3.354                  3.840           85.178   80.015

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     78    1.42    91.265    92.145     5.134

LGA_LOCAL      RMSD:   1.419  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.587  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   3.447  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.990131 * X  +   0.061076 * Y  +  -0.126132 * Z  +  13.126087
  Y_new =   0.140008 * X  +  -0.470326 * Y  +   0.871316 * Z  +   5.943063
  Z_new =  -0.006107 * X  +  -0.880377 * Y  +  -0.474235 * Z  +  16.333563 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.140473  0.006107 -2.064902   [DEG:    8.0485    0.3499 -118.3102 ]
ZXZ: -2.997830  2.064892 -3.134656   [DEG: -171.7630  118.3096 -179.6026 ]
 
# END of job
