
#######################################################
#                                                     #
#                        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        2.46     2.46
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       8_A - 88_A        1.92     2.49
  LCS_AVERAGE:     96.43

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      11_A - 85_A        0.82     2.70
  LONGEST_CONTINUOUS_SEGMENT:    75      12_A - 86_A        0.83     2.71
  LCS_AVERAGE:     83.07

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      3    4   83      0    3    3    3    4    4    5    8    8   33   52   60   75   83   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      3   78   83      0    3    3    3    4    4    5    8   22   38   53   72   81   83   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A      3   81   83      3    3    3    3    6    9   19   38   60   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A      3   81   83      3    3    3    7    9   13   45   53   73   79   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A      3   81   83      3    3    3    3   16   26   68   74   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     75   81   83      1    3   14   23   54   73   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     75   81   83     20   69   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     75   81   83     41   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     75   81   83     66   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     75   81   83     48   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     75   81   83     48   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     75   81   83     67   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     75   81   83     40   72   73   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A     75   81   83      5   19   54   70   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A     75   81   83      3    4    8   37   62   73   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      4   81   83      3    4    4   13   30   55   71   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      4   81   83      3   24   65   74   75   75   76   77   79   80   81   81   81   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  93.17  (  83.07   96.43  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     67     72     73     74     75     75     76     77     79     80     81     81     81     83     83     83     83     83     83     83 
GDT PERCENT_AT  80.72  86.75  87.95  89.16  90.36  90.36  91.57  92.77  95.18  96.39  97.59  97.59  97.59 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.33   0.37   0.56   0.66   0.66   0.91   1.08   1.51   1.74   1.92   1.92   1.92   2.46   2.46   2.46   2.46   2.46   2.46   2.46
GDT RMS_ALL_AT   2.74   2.75   2.77   2.75   2.73   2.73   2.70   2.66   2.58   2.54   2.49   2.49   2.49   2.46   2.46   2.46   2.46   2.46   2.46   2.46

# Checking swapping
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  Y    79_B      Y    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    11.969     0    0.091   1.367    16.499    0.000    0.000
LGA    K     7_B      K     7_A    10.971     0    0.624   1.358    11.145    0.000    0.741
LGA    P     8_B      P     8_A     8.292     0    0.614   0.604     9.077    6.548    5.986
LGA    K     9_B      K     9_A     8.278     0    0.621   1.067    14.037    4.286    1.958
LGA    A    10_B      A    10_A     7.487     0    0.603   0.585     7.970   10.119   10.095
LGA    K    11_B      K    11_A     5.135     0    0.686   0.824    12.631   30.952   15.556
LGA    R    12_B      R    12_A     1.762     0    0.536   0.845    13.939   75.476   33.766
LGA    T    13_B      T    13_A     0.651     0    0.067   0.086     2.076   90.476   81.769
LGA    W    14_B      W    14_A     0.226     0    0.016   0.126     0.619  100.000   97.279
LGA    S    15_B      S    15_A     0.274     0    0.022   0.033     0.370  100.000  100.000
LGA    K    16_B      K    16_A     0.233     0    0.009   0.916     2.459  100.000   86.138
LGA    E    17_B      E    17_A     0.340     0    0.010   0.853     3.457  100.000   84.974
LGA    E    18_B      E    18_A     0.219     0    0.021   0.071     0.434  100.000  100.000
LGA    E    19_B      E    19_A     0.200     0    0.002   0.203     0.782  100.000   98.942
LGA    E    20_B      E    20_A     0.251     0    0.033   0.145     0.521  100.000   98.942
LGA    A    21_B      A    21_A     0.135     0    0.019   0.022     0.166  100.000  100.000
LGA    L    22_B      L    22_A     0.146     0    0.023   0.027     0.367  100.000  100.000
LGA    V    23_B      V    23_A     0.216     0    0.031   1.336     2.511  100.000   88.844
LGA    E    24_B      E    24_A     0.219     0    0.020   0.267     0.911  100.000   98.942
LGA    G    25_B      G    25_A     0.282     0    0.014   0.014     0.295  100.000  100.000
LGA    L    26_B      L    26_A     0.186     0    0.026   1.257     2.586  100.000   90.238
LGA    K    27_B      K    27_A     0.200     0    0.109   0.897     2.441   97.619   91.905
LGA    E    28_B      E    28_A     0.405     0    0.014   0.879     3.608  100.000   81.164
LGA    V    29_B      V    29_A     0.202     0    0.026   0.049     0.282  100.000  100.000
LGA    G    30_B      G    30_A     0.140     0    0.028   0.028     0.176  100.000  100.000
LGA    P    31_B      P    31_A     0.132     0    0.018   0.042     0.256  100.000  100.000
LGA    S    32_B      S    32_A     0.224     0    0.020   0.057     0.359  100.000  100.000
LGA    W    33_B      W    33_A     0.127     0    0.036   0.080     0.234  100.000  100.000
LGA    S    34_B      S    34_A     0.137     0    0.014   0.631     2.351  100.000   94.127
LGA    K    35_B      K    35_A     0.227     0    0.012   0.646     2.472  100.000   96.085
LGA    I    36_B      I    36_A     0.267     0    0.029   0.045     0.330  100.000  100.000
LGA    L    37_B      L    37_A     0.381     0    0.010   1.255     3.008  100.000   89.345
LGA    D    38_B      D    38_A     0.353     0    0.035   0.079     0.550  100.000   98.810
LGA    L    39_B      L    39_A     0.326     0    0.040   1.238     2.690  100.000   90.238
LGA    Y    40_B      Y    40_A     0.403     0    0.030   0.086     0.682  100.000   98.413
LGA    G    41_B      G    41_A     0.364     0    0.009   0.009     0.407  100.000  100.000
LGA    P    42_B      P    42_A     0.358     0    0.030   0.137     0.530  100.000   98.639
LGA    G    43_B      G    43_A     0.405     0    0.023   0.023     0.411  100.000  100.000
LGA    G    44_B      G    44_A     0.292     0    0.010   0.010     0.355  100.000  100.000
LGA    K    45_B      K    45_A     0.354     0    0.060   0.585     2.149  100.000   90.053
LGA    I    46_B      I    46_A     0.471     0    0.034   0.068     0.720   97.619   94.048
LGA    T    47_B      T    47_A     0.514     0    0.027   0.146     0.674   92.857   94.558
LGA    E    48_B      E    48_A     0.496     0    0.029   0.092     0.526   97.619   98.942
LGA    N    49_B      N    49_A     0.547     0    0.068   0.333     1.092   90.476   88.214
LGA    L    50_B      L    50_A     0.488     0    0.007   1.253     2.584  100.000   90.238
LGA    K    51_B      K    51_A     0.424     0    0.020   0.579     1.920  100.000   94.868
LGA    N    52_B      N    52_A     0.383     0    0.012   1.119     2.268  100.000   91.190
LGA    R    53_B      R    53_A     0.210     0    0.060   0.165     0.712   97.619   98.268
LGA    T    54_B      T    54_A     0.543     0    0.029   0.053     0.663   92.857   91.837
LGA    Q    55_B      Q    55_A     0.623     0    0.014   0.160     0.850   90.476   90.476
LGA    V    56_B      V    56_A     0.610     0    0.032   1.347     3.320   90.476   82.177
LGA    Q    57_B      Q    57_A     0.662     0    0.007   0.090     0.713   90.476   90.476
LGA    L    58_B      L    58_A     0.475     0    0.012   1.239     2.758   97.619   87.857
LGA    K    59_B      K    59_A     0.404     0    0.045   0.680     3.698  100.000   85.714
LGA    D    60_B      D    60_A     0.629     0    0.030   0.146     0.724   90.476   92.857
LGA    K    61_B      K    61_A     0.427     0    0.026   0.562     1.561  100.000   93.862
LGA    A    62_B      A    62_A     0.400     0    0.024   0.026     0.429  100.000  100.000
LGA    R    63_B      R    63_A     0.436     0    0.021   0.511     3.048   95.238   83.983
LGA    N    64_B      N    64_A     0.670     0    0.047   0.154     1.132   92.857   90.536
LGA    W    65_B      W    65_A     0.305     0    0.025   0.094     0.448  100.000  100.000
LGA    K    66_B      K    66_A     0.507     0    0.011   0.118     1.624   92.857   87.566
LGA    L    67_B      L    67_A     0.536     0    0.023   1.416     3.937   92.857   78.393
LGA    Q    68_B      Q    68_A     0.335     0    0.044   0.982     4.533  100.000   78.783
LGA    Y    69_B      Y    69_A     0.238     0    0.012   0.215     0.755   97.619   96.032
LGA    L    70_B      L    70_A     0.596     0    0.016   1.248     3.046   92.857   83.393
LGA    K    71_B      K    71_A     0.788     0    0.024   1.382     5.835   88.214   71.323
LGA    S    72_B      S    72_A     0.813     0    0.064   0.617     2.699   90.476   84.921
LGA    G    73_B      G    73_A     0.947     0    0.027   0.027     1.102   85.952   85.952
LGA    K    74_B      K    74_A     0.960     0    0.011   0.996     5.270   90.476   75.132
LGA    P    75_B      P    75_A     1.034     0    0.030   0.067     1.148   85.952   84.014
LGA    L    76_B      L    76_A     0.661     0    0.047   1.300     2.687   95.238   84.345
LGA    P    77_B      P    77_A     0.311     0    0.041   0.058     0.575  100.000   98.639
LGA    D    78_B      D    78_A     0.239     0    0.019   0.395     1.801  100.000   95.417
LGA    Y    79_B      Y    79_A     0.301     0    0.072   0.056     0.381  100.000  100.000
LGA    L    80_B      L    80_A     0.423     0    0.037   1.245     2.743  100.000   90.238
LGA    I    81_B      I    81_A     0.437     0    0.028   0.647     2.473  100.000   94.405
LGA    K    82_B      K    82_A     0.624     0    0.056   0.679     2.203   90.476   83.757
LGA    V    83_B      V    83_A     0.407     0    0.082   1.331     2.751  100.000   88.844
LGA    T    84_B      T    84_A     0.933     0    0.097   1.049     4.856   83.810   69.796
LGA    G    85_B      G    85_A     2.924     0    0.297   0.297     5.411   48.333   48.333
LGA    N    86_B      N    86_A     5.209     0    0.182   1.282     9.704   39.405   25.298
LGA    L    87_B      L    87_A     6.301     0    0.062   1.144    12.853   24.048   12.381
LGA    E    88_B      E    88_A     3.028     0    0.048   1.139     6.267   60.357   40.635

# 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):     2.458          2.407                  3.214           87.844   82.176

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     77    1.08    92.169    93.670     6.526

LGA_LOCAL      RMSD:   1.080  Number of atoms:   77  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.658  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.458  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.305969 * X  +  -0.568449 * Y  +  -0.763707 * Z  +  12.200893
  Y_new =   0.673629 * X  +   0.696124 * Y  +  -0.248265 * Z  +   3.879412
  Z_new =   0.672761 * X  +  -0.438494 * Y  +   0.595916 * Z  +  13.288440 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.144447 -0.737934 -0.634371   [DEG:   65.5720  -42.2805  -36.3468 ]
ZXZ: -1.256493  0.932390  2.148423   [DEG:  -71.9918   53.4220  123.0956 ]
 
# END of job
