
#######################################################
#                                                     #
#                        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        2.86     2.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       6_A - 86_A        1.95     2.93
  LCS_AVERAGE:     95.34

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      12_A - 69_A        1.00     3.11
  LONGEST_CONTINUOUS_SEGMENT:    58      13_A - 70_A        0.99     3.13
  LCS_AVERAGE:     59.49

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   81   83      2    4    6    7   10   11   23   65   78   79   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K     7_B     K     7_A      4   81   83      3    4   38   54   65   72   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     P     8_B     P     8_A     33   81   83      3    4   49   63   74   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K     9_B     K     9_A     34   81   83      3   47   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     A    10_B     A    10_A     34   81   83      3   11   55   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K    11_B     K    11_A     34   81   83      5   11   55   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     R    12_B     R    12_A     58   81   83      5   40   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     T    13_B     T    13_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     W    14_B     W    14_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     S    15_B     S    15_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K    16_B     K    16_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     E    17_B     E    17_A     58   81   83     28   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     E    18_B     E    18_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     E    19_B     E    19_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     E    20_B     E    20_A     58   81   83     28   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     A    21_B     A    21_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     L    22_B     L    22_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     V    23_B     V    23_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     E    24_B     E    24_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     G    25_B     G    25_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     L    26_B     L    26_A     58   81   83     24   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K    27_B     K    27_A     58   81   83     27   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     E    28_B     E    28_A     58   81   83     18   46   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     V    29_B     V    29_A     58   81   83     11   45   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     G    30_B     G    30_A     58   81   83     10   40   59   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     P    31_B     P    31_A     58   81   83      5   46   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     S    32_B     S    32_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     W    33_B     W    33_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     S    34_B     S    34_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K    35_B     K    35_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     I    36_B     I    36_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     L    37_B     L    37_A     58   81   83      7   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     D    38_B     D    38_A     58   81   83      7   40   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     L    39_B     L    39_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     Y    40_B     Y    40_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     G    41_B     G    41_A     58   81   83      4    8   51   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     P    42_B     P    42_A     58   81   83      4    6   13   45   73   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     G    43_B     G    43_A     58   81   83      3   13   52   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     G    44_B     G    44_A     58   81   83      3   11   59   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K    45_B     K    45_A     58   81   83      3   11   52   70   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     I    46_B     I    46_A     58   81   83      3   37   57   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     T    47_B     T    47_A     58   81   83      5   40   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     E    48_B     E    48_A     58   81   83     25   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     N    49_B     N    49_A     58   81   83     23   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     L    50_B     L    50_A     58   81   83     24   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K    51_B     K    51_A     58   81   83     23   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     N    52_B     N    52_A     58   81   83     23   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     R    53_B     R    53_A     58   81   83     24   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     T    54_B     T    54_A     58   81   83     24   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     Q    55_B     Q    55_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     V    56_B     V    56_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     Q    57_B     Q    57_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     L    58_B     L    58_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K    59_B     K    59_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     D    60_B     D    60_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K    61_B     K    61_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     A    62_B     A    62_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     R    63_B     R    63_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     N    64_B     N    64_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     W    65_B     W    65_A     58   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K    66_B     K    66_A     58   81   83     16   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     L    67_B     L    67_A     58   81   83     16   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     Q    68_B     Q    68_A     58   81   83     22   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     Y    69_B     Y    69_A     58   81   83     22   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     L    70_B     L    70_A     58   81   83     18   47   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K    71_B     K    71_A     40   81   83     12   30   57   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     S    72_B     S    72_A     37   81   83     13   30   56   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     G    73_B     G    73_A     37   81   83     12   39   59   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K    74_B     K    74_A     37   81   83     23   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     P    75_B     P    75_A     37   81   83     25   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     L    76_B     L    76_A     37   81   83     12   47   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     P    77_B     P    77_A     37   81   83     15   42   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     D    78_B     D    78_A     37   81   83     12   39   52   70   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     Y    79_B     Y    79_A     37   81   83     11   39   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     L    80_B     L    80_A     37   81   83     15   46   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     I    81_B     I    81_A     37   81   83      4   46   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     K    82_B     K    82_A     37   81   83     29   48   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     V    83_B     V    83_A     37   81   83      4   38   59   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     T    84_B     T    84_A     37   81   83     13   46   60   71   75   77   78   78   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     G    85_B     G    85_A      3   81   83      2    3    9   13   31   45   59   74   78   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     N    86_B     N    86_A      3   81   83      3    3    7    9   24   51   57   74   79   80   81   81   81   81   81   81   81   82   83   83 
LCS_GDT     L    87_B     L    87_A      3    4   83      3    3    3    5    5    6    8    8   22   23   36   43   57   62   67   73   80   82   83   83 
LCS_GDT     E    88_B     E    88_A      3    3   83      3    3    3    4    5    6    7   18   22   23   36   43   47   62   66   72   75   78   83   83 
LCS_AVERAGE  LCS_A:  84.94  (  59.49   95.34  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     29     48     60     71     75     77     78     78     79     80     81     81     81     81     81     81     81     82     83     83 
GDT PERCENT_AT  34.94  57.83  72.29  85.54  90.36  92.77  93.98  93.98  95.18  96.39  97.59  97.59  97.59  97.59  97.59  97.59  97.59  98.80 100.00 100.00
GDT RMS_LOCAL    0.35   0.60   0.81   1.05   1.15   1.26   1.41   1.41   1.61   1.75   1.95   1.95   1.95   1.95   1.95   1.95   1.95   2.41   2.86   2.86
GDT RMS_ALL_AT   3.17   3.17   3.17   3.18   3.21   3.15   3.07   3.07   3.01   2.97   2.93   2.93   2.93   2.93   2.93   2.93   2.93   2.88   2.86   2.86

# Checking swapping
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  Y    40_B      Y    40_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A     8.919     0    0.643   1.718    14.121    3.214    1.169
LGA    K     7_B      K     7_A     5.354     0    0.134   0.971     6.089   30.952   28.995
LGA    P     8_B      P     8_A     3.144     0    0.015   0.026     5.240   58.214   48.639
LGA    K     9_B      K     9_A     1.602     0    0.090   1.120     6.981   77.143   54.392
LGA    A    10_B      A    10_A     2.565     0    0.052   0.078     3.448   60.952   58.762
LGA    K    11_B      K    11_A     2.237     0    0.049   1.010     6.944   68.810   53.280
LGA    R    12_B      R    12_A     1.580     0    0.198   1.052     6.279   68.929   56.277
LGA    T    13_B      T    13_A     0.846     0    0.024   0.037     1.073   90.476   89.184
LGA    W    14_B      W    14_A     0.341     0    0.067   0.234     2.002   97.619   87.585
LGA    S    15_B      S    15_A     0.760     0    0.026   0.070     0.942   90.476   90.476
LGA    K    16_B      K    16_A     0.923     0    0.022   0.907     4.153   90.476   76.296
LGA    E    17_B      E    17_A     1.032     0    0.008   0.748     3.012   88.214   76.402
LGA    E    18_B      E    18_A     0.658     0    0.013   0.248     1.113   90.476   89.471
LGA    E    19_B      E    19_A     0.618     0    0.015   0.209     1.438   90.476   90.529
LGA    E    20_B      E    20_A     0.898     0    0.046   0.151     2.081   90.476   81.693
LGA    A    21_B      A    21_A     0.548     0    0.013   0.015     0.629   90.476   90.476
LGA    L    22_B      L    22_A     0.517     0    0.015   0.986     3.334   90.476   84.286
LGA    V    23_B      V    23_A     0.734     0    0.034   0.055     0.950   90.476   90.476
LGA    E    24_B      E    24_A     0.566     0    0.023   0.145     1.109   95.238   91.587
LGA    G    25_B      G    25_A     0.145     0    0.095   0.095     0.587   97.619   97.619
LGA    L    26_B      L    26_A     0.867     0    0.018   0.139     1.283   90.595   86.012
LGA    K    27_B      K    27_A     0.756     0    0.072   0.584     1.793   90.476   87.513
LGA    E    28_B      E    28_A     0.915     0    0.021   0.188     1.410   85.952   84.444
LGA    V    29_B      V    29_A     1.250     0    0.051   0.069     1.615   79.286   81.497
LGA    G    30_B      G    30_A     1.584     0    0.082   0.082     1.584   79.286   79.286
LGA    P    31_B      P    31_A     1.193     0    0.107   0.128     1.804   83.690   79.048
LGA    S    32_B      S    32_A     0.277     0    0.058   0.704     2.955  100.000   91.270
LGA    W    33_B      W    33_A     0.247     0    0.049   0.307     2.911  100.000   79.184
LGA    S    34_B      S    34_A     0.130     0    0.058   0.078     0.436  100.000  100.000
LGA    K    35_B      K    35_A     0.395     0    0.033   0.660     2.431   97.619   89.894
LGA    I    36_B      I    36_A     0.331     0    0.027   0.111     0.628   95.238   96.429
LGA    L    37_B      L    37_A     1.091     0    0.100   1.371     3.190   83.690   76.548
LGA    D    38_B      D    38_A     1.456     0    0.037   0.076     2.314   79.286   73.036
LGA    L    39_B      L    39_A     0.502     0    0.062   1.359     3.756   95.238   81.548
LGA    Y    40_B      Y    40_A     0.381     0    0.127   0.154     2.205   95.238   84.722
LGA    G    41_B      G    41_A     1.957     0    0.089   0.089     2.234   70.952   70.952
LGA    P    42_B      P    42_A     2.955     0    0.656   0.625     4.604   50.714   51.429
LGA    G    43_B      G    43_A     2.264     0    0.037   0.037     2.264   64.762   64.762
LGA    G    44_B      G    44_A     1.779     0    0.192   0.192     2.120   70.833   70.833
LGA    K    45_B      K    45_A     2.139     0    0.094   0.598     5.073   68.810   53.175
LGA    I    46_B      I    46_A     1.696     0    0.384   0.436     2.251   79.286   73.036
LGA    T    47_B      T    47_A     1.503     0    0.049   0.154     2.448   77.143   75.374
LGA    E    48_B      E    48_A     0.501     0    0.044   0.400     2.676   92.857   85.820
LGA    N    49_B      N    49_A     0.931     0    0.045   0.204     1.782   88.214   83.750
LGA    L    50_B      L    50_A     0.654     0    0.079   0.122     0.694   90.476   91.667
LGA    K    51_B      K    51_A     0.845     0    0.023   0.595     2.157   90.476   84.603
LGA    N    52_B      N    52_A     0.831     0    0.026   1.114     2.926   90.476   84.107
LGA    R    53_B      R    53_A     0.691     0    0.041   0.099     0.923   90.476   90.476
LGA    T    54_B      T    54_A     0.411     0    0.044   0.081     0.495  100.000  100.000
LGA    Q    55_B      Q    55_A     0.134     0    0.022   0.208     1.190  100.000   95.820
LGA    V    56_B      V    56_A     0.177     0    0.053   0.055     0.257  100.000  100.000
LGA    Q    57_B      Q    57_A     0.355     0    0.005   0.234     1.309  100.000   93.704
LGA    L    58_B      L    58_A     0.317     0    0.017   0.179     0.861  100.000   97.619
LGA    K    59_B      K    59_A     0.188     0    0.022   0.783     5.431  100.000   79.683
LGA    D    60_B      D    60_A     0.106     0    0.030   0.789     3.451  100.000   85.952
LGA    K    61_B      K    61_A     0.113     0    0.014   0.520     1.709  100.000   94.921
LGA    A    62_B      A    62_A     0.226     0    0.012   0.017     0.330  100.000  100.000
LGA    R    63_B      R    63_A     0.483     0    0.015   0.910     4.458  100.000   78.701
LGA    N    64_B      N    64_A     0.403     0    0.015   0.189     0.570  100.000   98.810
LGA    W    65_B      W    65_A     0.149     0    0.027   0.096     1.452  100.000   92.619
LGA    K    66_B      K    66_A     0.864     0    0.037   0.104     2.298   88.214   78.836
LGA    L    67_B      L    67_A     1.271     0    0.029   0.048     1.707   81.429   80.357
LGA    Q    68_B      Q    68_A     1.107     0    0.037   0.153     1.482   81.429   82.434
LGA    Y    69_B      Y    69_A     0.763     0    0.018   0.194     1.372   88.214   87.460
LGA    L    70_B      L    70_A     1.540     0    0.037   0.131     2.133   72.976   71.905
LGA    K    71_B      K    71_A     2.241     0    0.005   1.395     5.454   64.881   60.688
LGA    S    72_B      S    72_A     2.294     0    0.006   0.059     2.448   64.762   64.762
LGA    G    73_B      G    73_A     1.999     0    0.084   0.084     2.021   70.833   70.833
LGA    K    74_B      K    74_A     0.683     0    0.006   0.977     5.960   92.857   73.862
LGA    P    75_B      P    75_A     0.840     0    0.015   0.039     1.045   90.476   89.184
LGA    L    76_B      L    76_A     1.169     0    0.029   1.283     2.906   75.119   71.131
LGA    P    77_B      P    77_A     1.754     0    0.031   0.043     1.944   75.000   76.531
LGA    D    78_B      D    78_A     2.546     0    0.008   0.257     2.891   62.857   60.952
LGA    Y    79_B      Y    79_A     2.053     0    0.158   0.204     2.257   66.786   73.690
LGA    L    80_B      L    80_A     1.481     0    0.162   0.187     1.731   75.000   79.345
LGA    I    81_B      I    81_A     1.692     0    0.047   0.672     2.573   77.143   75.238
LGA    K    82_B      K    82_A     0.389     0    0.303   0.819     3.041   95.238   83.280
LGA    V    83_B      V    83_A     1.771     0    0.635   0.617     3.982   67.619   65.306
LGA    T    84_B      T    84_A     1.079     0    0.644   1.360     5.116   64.286   52.925
LGA    G    85_B      G    85_A     6.739     0    0.604   0.604     6.971   17.857   17.857
LGA    N    86_B      N    86_A     7.190     0    0.634   1.442    11.463    5.833   12.083
LGA    L    87_B      L    87_A    14.006     0    0.030   1.096    17.504    0.000    0.000
LGA    E    88_B      E    88_A    15.940     0    0.048   1.051    20.709    0.000    0.000

# 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):     2.857          2.915                  3.383           79.772   75.114

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     78    1.41    83.735    89.841     5.167

LGA_LOCAL      RMSD:   1.410  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.069  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.857  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.900890 * X  +   0.316635 * Y  +   0.296884 * Z  +   6.494121
  Y_new =   0.289000 * X  +   0.072753 * Y  +  -0.954561 * Z  + -33.104179
  Z_new =  -0.323847 * X  +   0.945753 * Y  +  -0.025965 * Z  +  -1.209714 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.310423  0.329792  1.598244   [DEG:   17.7859   18.8957   91.5726 ]
ZXZ:  0.301532  1.596764 -0.329908   [DEG:   17.2765   91.4879  -18.9023 ]
 
# END of job
