
#######################################################
#                                                     #
#                        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        4.51     4.51
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      11_A - 88_A        1.96     5.46
  LCS_AVERAGE:     89.82

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      11_A - 83_A        0.94     5.34
  LONGEST_CONTINUOUS_SEGMENT:    73      12_A - 84_A        0.77     5.51
  LCS_AVERAGE:     78.97

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    7   83      0    4    6    6    7    8   11   13   15   15   16   19   21   22   24   29   34   38   41   59 
LCS_GDT     K     7_B     K     7_A      5    7   83      3    4    6    6    7    8   11   13   15   15   16   19   21   25   28   45   57   76   79   82 
LCS_GDT     P     8_B     P     8_A      5    7   83      3    4    6    6    7    8   11   13   17   30   33   44   52   55   66   77   77   81   81   82 
LCS_GDT     K     9_B     K     9_A      5    7   83      3    4    6    6    7    9   13   24   41   62   69   74   75   76   76   80   80   81   81   82 
LCS_GDT     A    10_B     A    10_A      5   76   83      3    4    6   17   26   46   58   68   74   74   74   75   75   76   76   80   80   81   81   82 
LCS_GDT     K    11_B     K    11_A     73   78   83      4   12   25   46   70   73   73   73   74   74   74   76   77   78   78   80   80   81   81   82 
LCS_GDT     R    12_B     R    12_A     73   78   83     11   61   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     T    13_B     T    13_A     73   78   83     18   63   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     W    14_B     W    14_A     73   78   83     45   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     S    15_B     S    15_A     73   78   83     28   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     K    16_B     K    16_A     73   78   83     51   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     E    17_B     E    17_A     73   78   83     28   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     E    18_B     E    18_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     E    19_B     E    19_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     E    20_B     E    20_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     A    21_B     A    21_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     L    22_B     L    22_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     V    23_B     V    23_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     E    24_B     E    24_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     G    25_B     G    25_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     L    26_B     L    26_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     K    27_B     K    27_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     E    28_B     E    28_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     V    29_B     V    29_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     G    30_B     G    30_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     P    31_B     P    31_A     73   78   83     50   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     S    32_B     S    32_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     W    33_B     W    33_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     S    34_B     S    34_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     K    35_B     K    35_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     I    36_B     I    36_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     L    37_B     L    37_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     D    38_B     D    38_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     L    39_B     L    39_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     Y    40_B     Y    40_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     G    41_B     G    41_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     P    42_B     P    42_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     G    43_B     G    43_A     73   78   83     16   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     G    44_B     G    44_A     73   78   83     16   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     K    45_B     K    45_A     73   78   83     14   53   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     I    46_B     I    46_A     73   78   83     14   54   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     T    47_B     T    47_A     73   78   83     16   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     E    48_B     E    48_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     N    49_B     N    49_A     73   78   83     39   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     L    50_B     L    50_A     73   78   83     36   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     K    51_B     K    51_A     73   78   83     16   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     N    52_B     N    52_A     73   78   83     16   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     R    53_B     R    53_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     T    54_B     T    54_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     Q    55_B     Q    55_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     V    56_B     V    56_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     Q    57_B     Q    57_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     L    58_B     L    58_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     K    59_B     K    59_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     D    60_B     D    60_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     K    61_B     K    61_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     A    62_B     A    62_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     R    63_B     R    63_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     N    64_B     N    64_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     W    65_B     W    65_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     K    66_B     K    66_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     L    67_B     L    67_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     Q    68_B     Q    68_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     Y    69_B     Y    69_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     L    70_B     L    70_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     K    71_B     K    71_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     S    72_B     S    72_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     G    73_B     G    73_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     K    74_B     K    74_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     P    75_B     P    75_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     L    76_B     L    76_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     P    77_B     P    77_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     D    78_B     D    78_A     73   78   83     43   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     Y    79_B     Y    79_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     L    80_B     L    80_A     73   78   83     52   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     I    81_B     I    81_A     73   78   83     41   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     K    82_B     K    82_A     73   78   83      3   50   70   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     V    83_B     V    83_A     73   78   83     10   67   71   72   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     T    84_B     T    84_A     73   78   83      3    8   21   59   72   73   73   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     G    85_B     G    85_A      4   78   83      3    4    7    9   20   25   46   70   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     N    86_B     N    86_A      4   78   83      3    4    5    9   11   21   32   50   73   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     L    87_B     L    87_A      3   78   83      3    3    3    4   17   24   31   50   65   76   77   77   77   78   78   80   80   81   81   82 
LCS_GDT     E    88_B     E    88_A      3   78   83      3    4   10   18   30   54   70   74   74   76   77   77   77   78   78   80   80   81   81   82 
LCS_AVERAGE  LCS_A:  89.60  (  78.97   89.82  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     52     67     71     72     72     73     73     74     74     76     77     77     77     78     78     80     80     81     81     82 
GDT PERCENT_AT  62.65  80.72  85.54  86.75  86.75  87.95  87.95  89.16  89.16  91.57  92.77  92.77  92.77  93.98  93.98  96.39  96.39  97.59  97.59  98.80
GDT RMS_LOCAL    0.33   0.49   0.61   0.65   0.65   0.77   0.77   1.10   1.03   1.80   1.82   1.82   1.77   1.96   1.96   2.83   2.83   3.36   3.36   3.92
GDT RMS_ALL_AT   5.51   5.52   5.45   5.47   5.47   5.51   5.51   5.54   5.37   5.68   5.62   5.62   5.44   5.46   5.46   4.95   4.95   4.72   4.72   4.57

# 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:  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    28.664     0    0.529   1.311    31.851    0.000    0.000
LGA    K     7_B      K     7_A    24.005     0    0.138   1.276    25.901    0.000    0.000
LGA    P     8_B      P     8_A    20.339     0    0.038   0.320    21.504    0.000    0.000
LGA    K     9_B      K     9_A    16.854     0    0.217   0.905    20.699    0.000    0.000
LGA    A    10_B      A    10_A    11.748     0    0.256   0.283    13.671    0.000    0.000
LGA    K    11_B      K    11_A     6.582     0    0.432   0.816    11.844   23.214   12.857
LGA    R    12_B      R    12_A     2.287     0    0.355   0.773     7.989   64.048   43.766
LGA    T    13_B      T    13_A     1.406     0    0.105   0.950     3.207   79.286   74.490
LGA    W    14_B      W    14_A     0.759     0    0.033   0.131     1.026   88.214   91.871
LGA    S    15_B      S    15_A     0.827     0    0.066   0.656     1.767   90.476   87.540
LGA    K    16_B      K    16_A     0.777     0    0.046   1.179     5.316   90.476   77.831
LGA    E    17_B      E    17_A     0.808     0    0.028   0.883     4.046   90.476   78.836
LGA    E    18_B      E    18_A     0.437     0    0.067   0.193     0.772   95.238   96.825
LGA    E    19_B      E    19_A     0.266     0    0.033   0.184     0.511  100.000   98.942
LGA    E    20_B      E    20_A     0.535     0    0.145   0.499     1.806   92.857   89.577
LGA    A    21_B      A    21_A     0.536     0    0.025   0.038     0.614   92.857   94.286
LGA    L    22_B      L    22_A     0.337     0    0.031   0.034     0.744  100.000   96.429
LGA    V    23_B      V    23_A     0.343     0    0.025   0.075     0.476  100.000  100.000
LGA    E    24_B      E    24_A     0.331     0    0.054   1.040     4.144  100.000   85.185
LGA    G    25_B      G    25_A     0.386     0    0.013   0.013     0.434  100.000  100.000
LGA    L    26_B      L    26_A     0.331     0    0.058   0.124     0.534   97.619   97.619
LGA    K    27_B      K    27_A     0.118     0    0.146   0.927     2.677   97.619   91.058
LGA    E    28_B      E    28_A     0.261     0    0.072   0.778     2.492  100.000   92.910
LGA    V    29_B      V    29_A     0.201     0    0.033   0.073     0.292  100.000  100.000
LGA    G    30_B      G    30_A     0.121     0    0.017   0.017     0.405  100.000  100.000
LGA    P    31_B      P    31_A     0.625     0    0.033   0.054     0.814   92.857   94.558
LGA    S    32_B      S    32_A     0.671     0    0.068   0.097     0.722   92.857   92.063
LGA    W    33_B      W    33_A     0.528     0    0.027   0.090     0.787   95.238   91.837
LGA    S    34_B      S    34_A     0.487     0    0.036   0.745     3.049   97.619   88.492
LGA    K    35_B      K    35_A     0.560     0    0.008   1.176     5.265   90.476   71.111
LGA    I    36_B      I    36_A     0.514     0    0.037   0.058     0.549   92.857   91.667
LGA    L    37_B      L    37_A     0.555     0    0.036   0.079     0.945   90.476   90.476
LGA    D    38_B      D    38_A     0.554     0    0.018   0.811     2.600   92.857   82.083
LGA    L    39_B      L    39_A     0.394     0    0.019   0.185     0.422  100.000  100.000
LGA    Y    40_B      Y    40_A     0.475     0    0.023   0.094     1.124  100.000   91.389
LGA    G    41_B      G    41_A     0.277     0    0.023   0.023     0.277  100.000  100.000
LGA    P    42_B      P    42_A     0.499     0    0.049   0.303     1.549   95.238   90.680
LGA    G    43_B      G    43_A     0.781     0    0.059   0.059     0.954   90.476   90.476
LGA    G    44_B      G    44_A     0.668     0    0.045   0.045     0.895   90.476   90.476
LGA    K    45_B      K    45_A     1.201     0    0.072   0.984     6.050   83.690   60.212
LGA    I    46_B      I    46_A     1.278     0    0.013   0.039     1.463   81.429   81.429
LGA    T    47_B      T    47_A     0.895     0    0.060   0.129     1.288   90.476   89.184
LGA    E    48_B      E    48_A     0.311     0    0.020   0.245     0.838   95.238   95.767
LGA    N    49_B      N    49_A     1.061     0    0.087   0.774     2.889   81.548   78.452
LGA    L    50_B      L    50_A     0.957     0    0.069   0.142     0.960   90.476   90.476
LGA    K    51_B      K    51_A     0.937     0    0.079   0.733     2.726   85.952   83.757
LGA    N    52_B      N    52_A     1.020     0    0.026   1.106     3.330   85.952   79.762
LGA    R    53_B      R    53_A     0.509     0    0.041   0.157     0.809   92.857   91.342
LGA    T    54_B      T    54_A     0.257     0    0.060   0.073     0.724   97.619   97.279
LGA    Q    55_B      Q    55_A     0.594     0    0.024   0.460     1.590   92.857   88.571
LGA    V    56_B      V    56_A     0.790     0    0.051   0.059     1.184   90.476   87.891
LGA    Q    57_B      Q    57_A     0.580     0    0.028   0.080     0.629   90.476   93.651
LGA    L    58_B      L    58_A     0.423     0    0.035   0.282     0.936   97.619   95.238
LGA    K    59_B      K    59_A     0.554     0    0.046   0.721     2.794   97.619   87.090
LGA    D    60_B      D    60_A     0.537     0    0.071   0.834     4.151   95.238   77.857
LGA    K    61_B      K    61_A     0.411     0    0.050   0.618     1.929   97.619   91.852
LGA    A    62_B      A    62_A     0.373     0    0.014   0.025     0.417  100.000  100.000
LGA    R    63_B      R    63_A     0.298     0    0.023   1.099     4.048  100.000   84.545
LGA    N    64_B      N    64_A     0.404     0    0.036   0.303     0.859  100.000   97.619
LGA    W    65_B      W    65_A     0.406     0    0.052   0.087     0.519   97.619   97.959
LGA    K    66_B      K    66_A     0.331     0    0.026   0.312     1.619  100.000   95.926
LGA    L    67_B      L    67_A     0.364     0    0.027   0.047     0.501  100.000   98.810
LGA    Q    68_B      Q    68_A     0.477     0    0.020   0.925     4.391   97.619   78.783
LGA    Y    69_B      Y    69_A     0.388     0    0.062   0.119     0.515   97.619   98.413
LGA    L    70_B      L    70_A     0.275     0    0.028   0.170     0.731  100.000   98.810
LGA    K    71_B      K    71_A     0.431     0    0.009   0.670     2.532   95.238   89.048
LGA    S    72_B      S    72_A     0.771     0    0.014   0.728     2.246   90.476   86.190
LGA    G    73_B      G    73_A     0.574     0    0.050   0.050     0.716   90.476   90.476
LGA    K    74_B      K    74_A     0.466     0    0.048   0.780     4.013   97.619   80.317
LGA    P    75_B      P    75_A     0.321     0    0.013   0.324     1.225  100.000   97.347
LGA    L    76_B      L    76_A     0.382     0    0.035   0.254     1.162   97.619   92.917
LGA    P    77_B      P    77_A     0.368     0    0.010   0.338     0.978   97.619   95.918
LGA    D    78_B      D    78_A     0.579     0    0.034   0.726     1.920   92.857   89.524
LGA    Y    79_B      Y    79_A     0.384     0    0.175   0.185     0.524   97.619   99.206
LGA    L    80_B      L    80_A     0.465     0    0.142   0.158     0.647   97.619   97.619
LGA    I    81_B      I    81_A     0.747     0    0.033   0.835     2.316   90.476   82.798
LGA    K    82_B      K    82_A     1.751     0    0.198   0.764     4.150   77.143   62.328
LGA    V    83_B      V    83_A     0.954     0    0.326   0.324     1.258   85.952   87.959
LGA    T    84_B      T    84_A     3.379     0    0.647   0.912     7.800   41.429   29.184
LGA    G    85_B      G    85_A     7.033     0    0.095   0.095     7.124   14.881   14.881
LGA    N    86_B      N    86_A     8.159     0    0.532   1.162    10.049    5.357    4.286
LGA    L    87_B      L    87_A     8.186     0    0.072   0.252    10.018    5.952    4.107
LGA    E    88_B      E    88_A     6.678     0    0.080   1.001    11.524   19.048   10.106

# 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):     4.508          4.397                  5.070           82.665   78.436

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     74    1.10    88.253    88.970     6.142

LGA_LOCAL      RMSD:   1.105  Number of atoms:   74  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.543  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   4.508  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.011339 * X  +  -0.995130 * Y  +  -0.097921 * Z  +  14.580614
  Y_new =  -0.988223 * X  +  -0.026097 * Y  +   0.150777 * Z  +   1.603145
  Z_new =  -0.152598 * X  +   0.095058 * Y  +  -0.983706 * Z  +  17.013433 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.559323  0.153196  3.045259   [DEG:  -89.3426    8.7775  174.4805 ]
ZXZ: -2.565609  2.960826 -1.013685   [DEG: -146.9985  169.6428  -58.0799 ]
 
# END of job
