
#######################################################
#                                                     #
#                        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        2.01     2.01
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       6_A - 87_A        1.84     2.01
  LONGEST_CONTINUOUS_SEGMENT:    82       7_A - 88_A        1.99     2.01
  LCS_AVERAGE:     98.80

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75       9_A - 83_A        0.99     2.10
  LONGEST_CONTINUOUS_SEGMENT:    75      10_A - 84_A        0.92     2.12
  LCS_AVERAGE:     83.16

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   82   83      0   17   52   72   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      5   82   83      4   18   30   55   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A      5   82   83      4   18   33   68   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A     75   82   83      4    6   22   37   64   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A     75   82   83      4    6   37   58   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     75   82   83      3   64   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     75   82   83     30   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     75   82   83     38   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     75   82   83     41   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     75   82   83     41   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     75   82   83     41   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     75   82   83     41   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     75   82   83     41   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     75   82   83     41   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     75   82   83     41   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     75   82   83     41   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     75   82   83     39   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     75   82   83     39   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     75   82   83     38   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     75   82   83     40   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     75   82   83     41   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     75   82   83     41   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     75   82   83     40   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     75   82   83     41   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     75   82   83     27   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     75   82   83     37   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     75   82   83     35   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     75   82   83     38   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     75   82   83     10   66   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     75   82   83     10   66   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     75   82   83     28   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     75   82   83     43   68   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     75   82   83      5   43   69   73   74   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     75   82   83      9   62   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     75   82   83      3    5   31   59   72   73   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A      4   82   83      3    5    9   22   36   52   66   72   75   77   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A      4   82   83      3    5   10   22   36   53   66   72   75   77   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      3   82   83      3    3    3    3    5   36   58   71   75   77   79   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      3   82   83      3    3    3    3    4    4    5   59   67   77   78   78   81   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  93.99  (  83.16   98.80  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     43     68     71     73     76     77     78     79     79     79     81     82     82     83     83     83     83     83     83     83 
GDT PERCENT_AT  51.81  81.93  85.54  87.95  91.57  92.77  93.98  95.18  95.18  95.18  97.59  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.50   0.56   0.65   1.08   1.12   1.21   1.31   1.31   1.31   1.68   1.84   1.84   2.01   2.01   2.01   2.01   2.01   2.01   2.01
GDT RMS_ALL_AT   2.17   2.15   2.16   2.15   2.12   2.11   2.12   2.10   2.10   2.10   2.03   2.01   2.01   2.01   2.01   2.01   2.01   2.01   2.01   2.01

# 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:  E    28_B      E    28_A
#   possible swapping detected:  D    38_B      D    38_A
#   possible swapping detected:  E    48_B      E    48_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     2.586     0    0.547   1.313     5.301   55.357   51.299
LGA    K     7_B      K     7_A     3.956     0    0.148   1.281     8.908   41.786   32.804
LGA    P     8_B      P     8_A     3.406     0    0.067   0.347     3.534   48.333   50.068
LGA    K     9_B      K     9_A     4.253     0    0.105   0.940     6.602   45.357   33.862
LGA    A    10_B      A    10_A     2.902     0    0.084   0.111     3.499   53.571   52.857
LGA    K    11_B      K    11_A     0.956     0    0.181   0.742     4.615   83.810   71.429
LGA    R    12_B      R    12_A     0.097     0    0.026   0.547     2.641   97.619   86.104
LGA    T    13_B      T    13_A     0.604     0    0.052   0.973     2.494   90.476   84.286
LGA    W    14_B      W    14_A     0.694     0    0.035   0.145     1.372   90.476   86.599
LGA    S    15_B      S    15_A     0.663     0    0.048   0.715     2.705   90.476   84.921
LGA    K    16_B      K    16_A     0.762     0    0.073   0.885     2.589   90.476   82.857
LGA    E    17_B      E    17_A     0.731     0    0.043   0.841     3.116   90.476   82.011
LGA    E    18_B      E    18_A     0.740     0    0.064   0.166     1.024   88.214   89.471
LGA    E    19_B      E    19_A     0.706     0    0.026   0.163     1.148   90.476   88.466
LGA    E    20_B      E    20_A     0.582     0    0.119   0.545     1.657   90.476   87.513
LGA    A    21_B      A    21_A     0.566     0    0.023   0.035     0.652   92.857   92.381
LGA    L    22_B      L    22_A     0.531     0    0.028   0.033     0.688   95.238   94.048
LGA    V    23_B      V    23_A     0.480     0    0.015   0.076     0.655   97.619   95.918
LGA    E    24_B      E    24_A     0.418     0    0.079   0.999     4.068  100.000   79.577
LGA    G    25_B      G    25_A     0.099     0    0.011   0.011     0.169  100.000  100.000
LGA    L    26_B      L    26_A     0.147     0    0.057   0.084     0.401  100.000  100.000
LGA    K    27_B      K    27_A     0.433     0    0.130   0.911     2.946  100.000   90.053
LGA    E    28_B      E    28_A     0.851     0    0.059   0.705     2.845   90.476   78.254
LGA    V    29_B      V    29_A     0.951     0    0.047   0.085     1.047   88.214   89.184
LGA    G    30_B      G    30_A     0.869     0    0.018   0.018     0.869   90.476   90.476
LGA    P    31_B      P    31_A     0.760     0    0.036   0.063     1.168   90.476   86.599
LGA    S    32_B      S    32_A     0.559     0    0.076   0.093     0.735   95.238   93.651
LGA    W    33_B      W    33_A     0.331     0    0.018   0.067     0.524   97.619   97.279
LGA    S    34_B      S    34_A     0.393     0    0.024   0.759     2.964  100.000   91.270
LGA    K    35_B      K    35_A     0.267     0    0.034   0.840     4.224  100.000   79.101
LGA    I    36_B      I    36_A     0.332     0    0.031   0.067     0.728   95.238   97.619
LGA    L    37_B      L    37_A     0.965     0    0.038   1.254     3.893   88.214   81.190
LGA    D    38_B      D    38_A     0.927     0    0.016   0.893     3.097   88.214   79.881
LGA    L    39_B      L    39_A     0.840     0    0.019   0.200     1.040   88.214   88.214
LGA    Y    40_B      Y    40_A     0.866     0    0.024   0.143     1.378   90.476   88.214
LGA    G    41_B      G    41_A     0.812     0    0.034   0.034     1.038   88.214   88.214
LGA    P    42_B      P    42_A     0.957     0    0.065   0.299     1.176   88.214   86.599
LGA    G    43_B      G    43_A     0.856     0    0.045   0.045     0.874   90.476   90.476
LGA    G    44_B      G    44_A     0.756     0    0.037   0.037     1.190   88.214   88.214
LGA    K    45_B      K    45_A     1.178     0    0.072   0.672     2.980   83.690   75.979
LGA    I    46_B      I    46_A     1.387     0    0.015   0.095     1.721   79.286   81.488
LGA    T    47_B      T    47_A     1.474     0    0.055   0.140     1.751   81.429   78.980
LGA    E    48_B      E    48_A     1.265     0    0.014   0.260     1.385   81.429   84.444
LGA    N    49_B      N    49_A     1.610     0    0.118   0.185     2.027   75.000   73.988
LGA    L    50_B      L    50_A     1.299     0    0.061   0.110     1.355   81.429   81.429
LGA    K    51_B      K    51_A     1.144     0    0.049   0.745     1.642   81.429   81.481
LGA    N    52_B      N    52_A     1.173     0    0.042   1.028     3.531   81.429   77.798
LGA    R    53_B      R    53_A     0.681     0    0.108   0.173     1.196   88.214   89.654
LGA    T    54_B      T    54_A     0.616     0    0.061   0.137     0.933   90.476   91.837
LGA    Q    55_B      Q    55_A     0.613     0    0.018   0.095     1.043   90.476   89.471
LGA    V    56_B      V    56_A     0.676     0    0.072   0.084     0.953   90.476   93.197
LGA    Q    57_B      Q    57_A     0.920     0    0.018   0.069     1.078   90.476   86.455
LGA    L    58_B      L    58_A     0.741     0    0.039   0.289     0.929   90.476   90.476
LGA    K    59_B      K    59_A     0.818     0    0.052   0.691     3.780   90.476   77.672
LGA    D    60_B      D    60_A     0.991     0    0.036   0.523     2.107   88.214   82.738
LGA    K    61_B      K    61_A     0.891     0    0.042   0.618     1.268   90.476   89.471
LGA    A    62_B      A    62_A     0.730     0    0.014   0.020     0.856   90.476   90.476
LGA    R    63_B      R    63_A     0.894     0    0.020   1.067     4.998   88.214   77.403
LGA    N    64_B      N    64_A     1.125     0    0.024   0.252     2.072   81.429   79.345
LGA    W    65_B      W    65_A     0.868     0    0.050   0.126     0.939   90.476   90.476
LGA    K    66_B      K    66_A     0.683     0    0.034   0.302     2.109   90.476   86.614
LGA    L    67_B      L    67_A     0.826     0    0.030   0.053     1.252   90.476   87.083
LGA    Q    68_B      Q    68_A     0.824     0    0.012   0.898     4.668   92.857   72.540
LGA    Y    69_B      Y    69_A     0.424     0    0.044   0.159     0.776   97.619   92.857
LGA    L    70_B      L    70_A     0.344     0    0.021   0.157     0.967  100.000   96.429
LGA    K    71_B      K    71_A     0.460     0    0.029   0.971     3.580   95.238   85.767
LGA    S    72_B      S    72_A     0.912     0    0.009   0.724     2.010   85.952   81.667
LGA    G    73_B      G    73_A     1.013     0    0.029   0.029     1.255   83.690   83.690
LGA    K    74_B      K    74_A     0.832     0    0.048   0.964     5.365   90.476   73.333
LGA    P    75_B      P    75_A     0.360     0    0.014   0.326     1.487  100.000   95.986
LGA    L    76_B      L    76_A     0.188     0    0.042   1.034     2.955  100.000   90.238
LGA    P    77_B      P    77_A     0.408     0    0.019   0.334     0.863   97.619   95.918
LGA    D    78_B      D    78_A     0.308     0    0.039   0.553     1.543  100.000   95.417
LGA    Y    79_B      Y    79_A     0.302     0    0.181   0.185     0.568   97.619   98.413
LGA    L    80_B      L    80_A     0.455     0    0.123   0.222     0.775   92.857   95.238
LGA    I    81_B      I    81_A     0.792     0    0.061   0.634     2.031   85.952   81.607
LGA    K    82_B      K    82_A     2.536     0    0.179   0.759     4.903   62.976   50.847
LGA    V    83_B      V    83_A     1.847     0    0.242   0.238     2.340   70.833   74.150
LGA    T    84_B      T    84_A     4.431     0    0.064   0.086     8.460   27.976   20.000
LGA    G    85_B      G    85_A     6.892     0    0.177   0.177     6.892   17.500   17.500
LGA    N    86_B      N    86_A     7.415     0    0.616   1.206     8.005    9.286   10.298
LGA    L    87_B      L    87_A     7.614     0    0.052   0.484    10.940    8.571    5.357
LGA    E    88_B      E    88_A     8.325     0    0.032   1.178    15.974    7.262    3.228

# 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):     2.007          1.978                  2.436           83.154   79.149

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     79    1.31    91.265    94.134     5.617

LGA_LOCAL      RMSD:   1.307  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.096  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.007  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.654419 * X  +  -0.754764 * Y  +  -0.045475 * Z  +  14.777703
  Y_new =  -0.755795 * X  +   0.651144 * Y  +   0.069178 * Z  +   5.970490
  Z_new =  -0.022602 * X  +   0.079642 * Y  +  -0.996567 * Z  +  15.017511 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.284431  0.022604  3.061846   [DEG: -130.8882    1.2951  175.4309 ]
ZXZ: -2.560059  3.058711 -0.276530   [DEG: -146.6806  175.2513  -15.8440 ]
 
# END of job
