
#######################################################
#                                                     #
#                        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        2.88     2.88
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       8_A - 88_A        1.97     3.01
  LCS_AVERAGE:     95.49

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      11_A - 85_A        0.98     3.31
  LCS_AVERAGE:     84.15

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    8   83      0    4    5    5    7    8   12   12   13   13   15   15   37   47   75   77   80   82   83   83 
LCS_GDT     K     7_B     K     7_A      6    9   83      4    4    6    6    9   16   28   41   56   64   71   75   79   82   82   82   82   82   83   83 
LCS_GDT     P     8_B     P     8_A      6   81   83      4    4    6    6   10   27   52   64   68   75   79   81   81   82   82   82   82   82   83   83 
LCS_GDT     K     9_B     K     9_A      6   81   83      4    4   11   41   56   67   73   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     A    10_B     A    10_A     74   81   83      4    4   13   46   66   71   75   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     K    11_B     K    11_A     75   81   83      3   33   62   71   73   73   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     R    12_B     R    12_A     75   81   83     34   64   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     T    13_B     T    13_A     75   81   83     27   64   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     W    14_B     W    14_A     75   81   83     34   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     S    15_B     S    15_A     75   81   83     34   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     K    16_B     K    16_A     75   81   83     34   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     E    17_B     E    17_A     75   81   83     34   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     E    18_B     E    18_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     E    19_B     E    19_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     E    20_B     E    20_A     75   81   83     44   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     A    21_B     A    21_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     L    22_B     L    22_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     V    23_B     V    23_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     E    24_B     E    24_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     G    25_B     G    25_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     L    26_B     L    26_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     K    27_B     K    27_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     E    28_B     E    28_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     V    29_B     V    29_A     75   81   83     41   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     G    30_B     G    30_A     75   81   83     44   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     P    31_B     P    31_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     S    32_B     S    32_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     W    33_B     W    33_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     S    34_B     S    34_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     K    35_B     K    35_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     I    36_B     I    36_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     L    37_B     L    37_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     D    38_B     D    38_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     L    39_B     L    39_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     Y    40_B     Y    40_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     G    41_B     G    41_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     P    42_B     P    42_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     G    43_B     G    43_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     G    44_B     G    44_A     75   81   83     44   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     K    45_B     K    45_A     75   81   83     30   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     I    46_B     I    46_A     75   81   83     30   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     T    47_B     T    47_A     75   81   83     30   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     E    48_B     E    48_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     N    49_B     N    49_A     75   81   83     40   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     L    50_B     L    50_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     K    51_B     K    51_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     N    52_B     N    52_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     R    53_B     R    53_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     T    54_B     T    54_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     Q    55_B     Q    55_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     V    56_B     V    56_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     Q    57_B     Q    57_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     L    58_B     L    58_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     K    59_B     K    59_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     D    60_B     D    60_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     K    61_B     K    61_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     A    62_B     A    62_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     R    63_B     R    63_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     N    64_B     N    64_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     W    65_B     W    65_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     K    66_B     K    66_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     L    67_B     L    67_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     Q    68_B     Q    68_A     75   81   83     33   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     Y    69_B     Y    69_A     75   81   83     35   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     L    70_B     L    70_A     75   81   83     41   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     K    71_B     K    71_A     75   81   83     25   64   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     S    72_B     S    72_A     75   81   83     12   59   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     G    73_B     G    73_A     75   81   83     12   59   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     K    74_B     K    74_A     75   81   83     12   63   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     P    75_B     P    75_A     75   81   83     41   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     L    76_B     L    76_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     P    77_B     P    77_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     D    78_B     D    78_A     75   81   83     38   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     Y    79_B     Y    79_A     75   81   83     45   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     L    80_B     L    80_A     75   81   83     41   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     I    81_B     I    81_A     75   81   83     39   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     K    82_B     K    82_A     75   81   83      4   55   68   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     V    83_B     V    83_A     75   81   83     13   65   71   72   73   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     T    84_B     T    84_A     75   81   83      4   14   32   66   71   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     G    85_B     G    85_A     75   81   83      4   13   31   48   66   73   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     N    86_B     N    86_A     69   81   83      4   13   31   57   66   74   76   76   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     L    87_B     L    87_A      3   81   83      3    3    3   15   24   67   74   76   78   79   80   81   81   82   82   82   82   82   83   83 
LCS_GDT     E    88_B     E    88_A      3   81   83      3    3    3    4   17   42   47   67   79   79   80   81   81   82   82   82   82   82   83   83 
LCS_AVERAGE  LCS_A:  93.21  (  84.15   95.49  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     45     65     71     72     73     74     76     76     79     79     80     81     81     82     82     82     82     82     83     83 
GDT PERCENT_AT  54.22  78.31  85.54  86.75  87.95  89.16  91.57  91.57  95.18  95.18  96.39  97.59  97.59  98.80  98.80  98.80  98.80  98.80 100.00 100.00
GDT RMS_LOCAL    0.31   0.50   0.61   0.64   0.73   0.91   1.08   1.08   1.61   1.55   1.69   1.97   1.97   2.34   2.34   2.34   2.34   2.34   2.88   2.88
GDT RMS_ALL_AT   3.39   3.37   3.35   3.35   3.31   3.35   3.31   3.31   3.10   3.13   3.10   3.01   3.01   2.92   2.92   2.92   2.92   2.92   2.88   2.88

# Checking swapping
#   possible swapping detected:  E    17_B      E    17_A
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    19_B      E    19_A
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  D    38_B      D    38_A
#   possible swapping detected:  E    48_B      E    48_A
#   possible swapping detected:  D    60_B      D    60_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  D    78_B      D    78_A
#   possible swapping detected:  Y    79_B      Y    79_A
#   possible swapping detected:  E    88_B      E    88_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    18.910     0    0.575   1.405    23.932    0.000    0.000
LGA    K     7_B      K     7_A    13.964     0    0.204   1.233    15.714    0.000    0.000
LGA    P     8_B      P     8_A    10.740     0    0.074   0.351    12.798    0.238    0.136
LGA    K     9_B      K     9_A     7.347     0    0.054   0.935     8.398   11.310   12.116
LGA    A    10_B      A    10_A     6.057     0    0.240   0.286     6.697   23.333   22.095
LGA    K    11_B      K    11_A     3.039     0    0.127   0.715     5.198   46.905   45.979
LGA    R    12_B      R    12_A     1.257     0    0.041   0.637     4.051   79.286   73.766
LGA    T    13_B      T    13_A     1.338     0    0.057   0.736     2.686   81.429   76.735
LGA    W    14_B      W    14_A     0.687     0    0.049   0.139     0.939   90.476   92.517
LGA    S    15_B      S    15_A     0.697     0    0.054   0.744     2.163   90.476   86.190
LGA    K    16_B      K    16_A     0.661     0    0.067   0.941     2.386   90.476   83.757
LGA    E    17_B      E    17_A     0.772     0    0.036   0.935     3.658   90.476   80.423
LGA    E    18_B      E    18_A     0.365     0    0.071   0.172     0.516   95.238   97.884
LGA    E    19_B      E    19_A     0.315     0    0.021   0.220     0.625  100.000   98.942
LGA    E    20_B      E    20_A     0.486     0    0.130   0.602     2.159   97.619   88.783
LGA    A    21_B      A    21_A     0.300     0    0.023   0.036     0.428  100.000  100.000
LGA    L    22_B      L    22_A     0.231     0    0.015   0.026     0.552  100.000   98.810
LGA    V    23_B      V    23_A     0.292     0    0.028   0.073     0.460  100.000  100.000
LGA    E    24_B      E    24_A     0.267     0    0.065   0.982     3.834  100.000   87.672
LGA    G    25_B      G    25_A     0.275     0    0.019   0.019     0.301  100.000  100.000
LGA    L    26_B      L    26_A     0.263     0    0.059   0.095     0.395  100.000  100.000
LGA    K    27_B      K    27_A     0.135     0    0.118   0.920     2.860   97.619   91.058
LGA    E    28_B      E    28_A     0.188     0    0.080   0.693     1.988  100.000   93.862
LGA    V    29_B      V    29_A     0.343     0    0.072   0.109     0.497  100.000  100.000
LGA    G    30_B      G    30_A     0.237     0    0.024   0.024     0.238  100.000  100.000
LGA    P    31_B      P    31_A     0.286     0    0.010   0.069     0.436  100.000  100.000
LGA    S    32_B      S    32_A     0.410     0    0.036   0.137     0.674  100.000   98.413
LGA    W    33_B      W    33_A     0.361     0    0.030   0.093     0.596  100.000   93.878
LGA    S    34_B      S    34_A     0.173     0    0.052   0.505     1.713  100.000   95.476
LGA    K    35_B      K    35_A     0.292     0    0.019   0.702     2.989  100.000   93.175
LGA    I    36_B      I    36_A     0.413     0    0.031   0.070     0.539  100.000   98.810
LGA    L    37_B      L    37_A     0.520     0    0.028   0.154     1.045   92.857   90.536
LGA    D    38_B      D    38_A     0.425     0    0.027   0.837     2.795  100.000   88.810
LGA    L    39_B      L    39_A     0.311     0    0.022   0.230     0.609  100.000   98.810
LGA    Y    40_B      Y    40_A     0.559     0    0.024   0.181     1.217   97.619   92.143
LGA    G    41_B      G    41_A     0.212     0    0.016   0.016     0.323  100.000  100.000
LGA    P    42_B      P    42_A     0.153     0    0.051   0.271     0.616  100.000   98.639
LGA    G    43_B      G    43_A     0.509     0    0.066   0.066     0.580   92.857   92.857
LGA    G    44_B      G    44_A     0.550     0    0.043   0.043     0.769   90.476   90.476
LGA    K    45_B      K    45_A     0.927     0    0.074   0.634     3.123   88.214   76.455
LGA    I    46_B      I    46_A     0.997     0    0.022   0.101     1.300   85.952   87.083
LGA    T    47_B      T    47_A     0.826     0    0.065   0.161     1.055   90.476   89.184
LGA    E    48_B      E    48_A     0.263     0    0.023   0.325     1.146  100.000   94.762
LGA    N    49_B      N    49_A     0.696     0    0.102   0.535     2.307   88.214   86.131
LGA    L    50_B      L    50_A     0.612     0    0.049   0.130     0.612   90.476   94.048
LGA    K    51_B      K    51_A     0.425     0    0.068   0.717     2.724  100.000   95.238
LGA    N    52_B      N    52_A     0.374     0    0.014   1.106     2.687  100.000   90.060
LGA    R    53_B      R    53_A     0.168     0    0.030   0.131     0.504   97.619   99.134
LGA    T    54_B      T    54_A     0.130     0    0.062   0.074     0.636   97.619   98.639
LGA    Q    55_B      Q    55_A     0.299     0    0.029   0.684     3.232   97.619   83.492
LGA    V    56_B      V    56_A     0.520     0    0.052   0.065     0.919   97.619   94.558
LGA    Q    57_B      Q    57_A     0.324     0    0.017   0.179     0.499  100.000  100.000
LGA    L    58_B      L    58_A     0.321     0    0.033   0.299     0.945  100.000   97.619
LGA    K    59_B      K    59_A     0.546     0    0.057   0.767     4.433   97.619   81.164
LGA    D    60_B      D    60_A     0.455     0    0.083   0.817     3.386  100.000   86.964
LGA    K    61_B      K    61_A     0.453     0    0.039   0.607     1.798   95.238   89.735
LGA    A    62_B      A    62_A     0.477     0    0.017   0.028     0.507   97.619   98.095
LGA    R    63_B      R    63_A     0.525     0    0.012   1.197     4.538   92.857   77.359
LGA    N    64_B      N    64_A     0.720     0    0.007   0.666     2.080   90.476   83.869
LGA    W    65_B      W    65_A     0.721     0    0.040   0.470     2.180   90.476   83.571
LGA    K    66_B      K    66_A     0.482     0    0.021   0.289     1.803   95.238   92.804
LGA    L    67_B      L    67_A     0.542     0    0.029   0.393     1.960   92.857   89.524
LGA    Q    68_B      Q    68_A     0.838     0    0.017   0.901     4.107   88.214   72.593
LGA    Y    69_B      Y    69_A     0.958     0    0.061   0.175     1.281   88.214   89.722
LGA    L    70_B      L    70_A     0.950     0    0.009   0.205     1.280   85.952   87.083
LGA    K    71_B      K    71_A     1.264     0    0.022   0.970     3.875   77.143   75.608
LGA    S    72_B      S    72_A     1.836     0    0.013   0.705     2.453   70.833   70.159
LGA    G    73_B      G    73_A     1.810     0    0.039   0.039     1.934   72.857   72.857
LGA    K    74_B      K    74_A     1.344     0    0.054   0.974     6.150   81.429   64.868
LGA    P    75_B      P    75_A     0.708     0    0.014   0.318     1.588   90.476   89.320
LGA    L    76_B      L    76_A     0.561     0    0.032   0.235     1.663   92.857   88.333
LGA    P    77_B      P    77_A     0.211     0    0.010   0.335     0.825   97.619   95.918
LGA    D    78_B      D    78_A     0.655     0    0.040   0.719     1.634   90.476   87.262
LGA    Y    79_B      Y    79_A     0.498     0    0.190   0.186     0.538   97.619   99.206
LGA    L    80_B      L    80_A     0.700     0    0.137   0.321     1.358   92.857   90.536
LGA    I    81_B      I    81_A     0.814     0    0.067   0.651     1.726   90.476   83.810
LGA    K    82_B      K    82_A     1.772     0    0.178   0.761     3.931   77.143   63.016
LGA    V    83_B      V    83_A     0.938     0    0.182   0.182     1.442   85.952   89.320
LGA    T    84_B      T    84_A     3.296     0    0.056   0.080     5.424   48.452   39.660
LGA    G    85_B      G    85_A     4.120     0    0.069   0.069     4.120   45.238   45.238
LGA    N    86_B      N    86_A     4.016     0    0.510   1.202     4.912   40.238   40.298
LGA    L    87_B      L    87_A     4.772     0    0.073   0.099     9.466   32.857   19.762
LGA    E    88_B      E    88_A     6.456     0    0.050   1.269    13.718   19.524    9.206

# 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):     2.878          2.828                  3.490           84.594   80.795

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     76    1.08    88.855    91.917     6.452

LGA_LOCAL      RMSD:   1.078  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.314  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.878  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.415583 * X  +   0.328945 * Y  +   0.847989 * Z  +  13.254076
  Y_new =   0.026243 * X  +  -0.936260 * Y  +   0.350325 * Z  +   0.177246
  Z_new =   0.909177 * X  +  -0.123335 * Y  +  -0.397727 * Z  +  14.402738 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.063064 -1.141302 -2.840895   [DEG:    3.6133  -65.3918 -162.7713 ]
ZXZ:  1.962566  1.979834  1.705629   [DEG:  112.4467  113.4361   97.7254 ]
 
# END of job
