
#######################################################
#                                                     #
#                        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  101 (  816),  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        1.76     1.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        1.76     1.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       8_A - 84_A        0.93     1.90
  LONGEST_CONTINUOUS_SEGMENT:    77       9_A - 85_A        0.88     1.93
  LONGEST_CONTINUOUS_SEGMENT:    77      10_A - 86_A        1.00     1.91
  LCS_AVERAGE:     88.53

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      5   83   83      0    4    5    6    7    8    9   49   65   80   80   83   83   83   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      5   83   83      4    4    6   16   41   63   79   79   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A     77   83   83      4    4    6   21   42   75   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A     77   83   83      4    4   64   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A     77   83   83      7   47   65   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     77   83   83     10   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     77   83   83     55   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     77   83   83     43   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     77   83   83     21   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     77   83   83     21   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     77   83   83     55   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     77   83   83     22   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     77   83   83     32   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     77   83   83     13   63   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     77   83   83     12   63   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     77   83   83     12   63   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     77   83   83     32   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     77   83   83     58   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     77   83   83     20   68   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     77   83   83     41   69   73   75   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     77   83   83      4   15   54   67   76   76   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A     77   83   83      4   12   30   51   68   73   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A     77   83   83      5   12   30   51   68   73   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      3   83   83      3    3    3    9   56   73   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      3   83   83      3    3   17   27   57   65   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  96.18  (  88.53  100.00  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     58     69     73     75     76     76     79     81     82     82     82     83     83     83     83     83     83     83     83     83 
GDT PERCENT_AT  69.88  83.13  87.95  90.36  91.57  91.57  95.18  97.59  98.80  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.43   0.53   0.63   0.72   0.72   1.11   1.37   1.52   1.52   1.52   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76
GDT RMS_ALL_AT   2.00   2.00   2.00   1.99   1.96   1.96   1.90   1.81   1.78   1.78   1.78   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76

# Checking swapping
#   possible swapping detected:  E    17_B      E    17_A
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  E    24_B      E    24_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     9.023     0    0.574   1.313    11.811    1.429    0.649
LGA    K     7_B      K     7_A     6.225     0    0.147   1.264    10.191   26.310   15.344
LGA    P     8_B      P     8_A     4.595     0    0.065   0.356     6.510   37.738   28.980
LGA    K     9_B      K     9_A     1.958     0    0.016   0.893     5.222   68.810   54.656
LGA    A    10_B      A    10_A     2.392     0    0.126   0.159     3.224   61.071   58.857
LGA    K    11_B      K    11_A     1.074     0    0.179   0.716     2.474   77.262   77.725
LGA    R    12_B      R    12_A     0.954     0    0.039   0.348     2.140   90.476   84.848
LGA    T    13_B      T    13_A     0.860     0    0.074   0.898     2.990   92.857   83.265
LGA    W    14_B      W    14_A     0.746     0    0.047   0.147     0.950   90.476   91.837
LGA    S    15_B      S    15_A     0.826     0    0.041   0.619     2.385   90.476   86.190
LGA    K    16_B      K    16_A     0.488     0    0.042   1.192     4.560   97.619   85.503
LGA    E    17_B      E    17_A     0.731     0    0.048   0.349     1.234   92.857   90.582
LGA    E    18_B      E    18_A     0.249     0    0.079   0.117     0.742   97.619   94.709
LGA    E    19_B      E    19_A     0.147     0    0.016   0.740     2.303  100.000   95.026
LGA    E    20_B      E    20_A     0.278     0    0.111   0.252     1.280   97.619   92.698
LGA    A    21_B      A    21_A     0.285     0    0.021   0.025     0.394  100.000  100.000
LGA    L    22_B      L    22_A     0.264     0    0.014   0.053     0.771   97.619   95.238
LGA    V    23_B      V    23_A     0.396     0    0.014   0.133     0.556   97.619   97.279
LGA    E    24_B      E    24_A     0.377     0    0.092   1.057     3.573   97.619   80.159
LGA    G    25_B      G    25_A     0.225     0    0.040   0.040     0.484  100.000  100.000
LGA    L    26_B      L    26_A     0.305     0    0.077   0.922     2.320   97.619   89.821
LGA    K    27_B      K    27_A     0.298     0    0.154   0.843     1.821   92.976   91.799
LGA    E    28_B      E    28_A     0.266     0    0.043   0.920     2.661   97.619   87.143
LGA    V    29_B      V    29_A     0.349     0    0.028   0.114     0.475  100.000  100.000
LGA    G    30_B      G    30_A     0.330     0    0.024   0.024     0.421  100.000  100.000
LGA    P    31_B      P    31_A     0.430     0    0.039   0.043     0.523   97.619   98.639
LGA    S    32_B      S    32_A     0.504     0    0.054   0.687     2.544   92.857   86.508
LGA    W    33_B      W    33_A     0.490     0    0.039   0.087     0.668   95.238   95.918
LGA    S    34_B      S    34_A     0.259     0    0.115   0.729     2.236   97.619   92.540
LGA    K    35_B      K    35_A     0.253     0    0.010   1.030     4.491  100.000   81.640
LGA    I    36_B      I    36_A     0.345     0    0.024   0.130     0.791  100.000   98.810
LGA    L    37_B      L    37_A     0.323     0    0.019   0.048     0.411  100.000  100.000
LGA    D    38_B      D    38_A     0.372     0    0.041   0.158     1.093  100.000   94.107
LGA    L    39_B      L    39_A     0.361     0    0.029   0.172     0.655  100.000   97.619
LGA    Y    40_B      Y    40_A     0.419     0    0.022   0.166     0.804  100.000   96.825
LGA    G    41_B      G    41_A     0.139     0    0.034   0.034     0.192  100.000  100.000
LGA    P    42_B      P    42_A     0.069     0    0.121   0.314     0.966   97.619   97.279
LGA    G    43_B      G    43_A     0.632     0    0.055   0.055     0.807   90.476   90.476
LGA    G    44_B      G    44_A     0.603     0    0.057   0.057     0.798   90.476   90.476
LGA    K    45_B      K    45_A     0.970     0    0.135   0.857     2.560   83.810   79.947
LGA    I    46_B      I    46_A     0.977     0    0.041   0.065     1.275   85.952   87.083
LGA    T    47_B      T    47_A     0.579     0    0.039   0.103     0.716   92.857   93.197
LGA    E    48_B      E    48_A     0.284     0    0.048   0.735     2.319  100.000   92.910
LGA    N    49_B      N    49_A     0.220     0    0.086   0.668     1.792   97.619   93.095
LGA    L    50_B      L    50_A     0.305     0    0.061   0.102     0.423  100.000  100.000
LGA    K    51_B      K    51_A     0.420     0    0.125   0.705     2.978  100.000   92.063
LGA    N    52_B      N    52_A     0.647     0    0.022   1.087     2.528   90.476   83.095
LGA    R    53_B      R    53_A     0.498     0    0.042   0.135     1.032   97.619   91.429
LGA    T    54_B      T    54_A     0.329     0    0.088   0.126     0.977   95.238   94.558
LGA    Q    55_B      Q    55_A     0.530     0    0.034   0.144     0.802   92.857   92.593
LGA    V    56_B      V    56_A     0.758     0    0.055   0.082     1.140   90.476   89.184
LGA    Q    57_B      Q    57_A     0.573     0    0.018   0.242     0.933   90.476   92.593
LGA    L    58_B      L    58_A     0.453     0    0.034   1.120     2.830   97.619   87.857
LGA    K    59_B      K    59_A     0.539     0    0.047   0.749     4.097   97.619   83.122
LGA    D    60_B      D    60_A     0.454     0    0.036   0.054     0.788  100.000   95.238
LGA    K    61_B      K    61_A     0.453     0    0.060   0.617     2.034   92.857   89.894
LGA    A    62_B      A    62_A     0.525     0    0.021   0.026     0.557   90.476   90.476
LGA    R    63_B      R    63_A     0.609     0    0.022   1.115     3.942   90.476   79.913
LGA    N    64_B      N    64_A     0.723     0    0.025   0.105     1.015   90.476   89.345
LGA    W    65_B      W    65_A     0.812     0    0.032   0.119     0.910   90.476   93.197
LGA    K    66_B      K    66_A     0.738     0    0.017   0.321     1.572   90.476   90.635
LGA    L    67_B      L    67_A     0.818     0    0.019   1.397     3.709   88.214   74.226
LGA    Q    68_B      Q    68_A     1.020     0    0.021   0.671     1.762   83.690   81.481
LGA    Y    69_B      Y    69_A     1.078     0    0.074   0.109     1.425   81.429   81.429
LGA    L    70_B      L    70_A     1.136     0    0.054   0.189     1.420   83.690   82.560
LGA    K    71_B      K    71_A     1.460     0    0.014   0.913     3.806   77.143   72.593
LGA    S    72_B      S    72_A     1.925     0    0.026   0.564     2.423   68.810   70.159
LGA    G    73_B      G    73_A     2.108     0    0.020   0.020     2.141   66.786   66.786
LGA    K    74_B      K    74_A     1.736     0    0.042   0.958     6.152   72.857   60.106
LGA    P    75_B      P    75_A     1.182     0    0.014   0.322     2.142   83.690   80.340
LGA    L    76_B      L    76_A     0.905     0    0.066   1.306     3.144   90.476   82.083
LGA    P    77_B      P    77_A     0.321     0    0.054   0.054     0.743   97.619   98.639
LGA    D    78_B      D    78_A     0.718     0    0.031   0.628     2.337   90.476   87.262
LGA    Y    79_B      Y    79_A     0.457     0    0.174   0.188     0.812   97.619   99.206
LGA    L    80_B      L    80_A     0.608     0    0.103   0.123     0.730   92.857   91.667
LGA    I    81_B      I    81_A     0.715     0    0.058   0.660     1.319   95.238   88.333
LGA    K    82_B      K    82_A     0.788     0    0.138   0.752     3.244   90.476   77.302
LGA    V    83_B      V    83_A     0.463     0    0.142   0.156     1.004   95.238   93.265
LGA    T    84_B      T    84_A     2.456     0    0.052   1.220     6.167   61.190   48.912
LGA    G    85_B      G    85_A     3.993     0    0.078   0.078     3.993   48.452   48.452
LGA    N    86_B      N    86_A     4.085     0    0.512   1.271     5.036   38.690   38.095
LGA    L    87_B      L    87_A     3.943     0    0.056   0.771     9.026   43.333   28.036
LGA    E    88_B      E    88_A     5.467     0    0.038   1.193    12.990   27.976   13.968

# 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):     1.758          1.745                  2.350           86.740   82.524

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   83    4.0     81    1.37    92.771    95.461     5.493

LGA_LOCAL      RMSD:   1.375  Number of atoms:   81  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.814  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   1.758  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.042092 * X  +  -0.999073 * Y  +  -0.009066 * Z  +   4.147486
  Y_new =  -0.730415 * X  +  -0.036962 * Y  +   0.682002 * Z  + -20.827532
  Z_new =  -0.681705 * X  +  -0.022084 * Y  +  -0.731294 * Z  +  32.081081 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.513233  0.750091 -3.111403   [DEG:  -86.7019   42.9770 -178.2702 ]
ZXZ: -3.128300  2.391013 -1.603181   [DEG: -179.2384  136.9950  -91.8555 ]
 
# END of job
