
#######################################################
#                                                     #
#                        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  100 (  812),  selected   78 , name one
# Molecule2: number of CA atoms   78 (  613),  selected   78 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      21_A - 98_A        2.87     2.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      23_A - 98_A        1.84     2.99
  LCS_AVERAGE:     95.05

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      25_A - 97_A        0.95     3.15
  LONGEST_CONTINUOUS_SEGMENT:    73      26_A - 98_A        0.67     3.26
  LCS_AVERAGE:     88.99

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   78
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     F    21_A     F    21_A      3    3   78      0    3    3    3    4    5    5    5    6    9   10   11   22   24   33   34   38   47   48   78 
LCS_GDT     Q    22_A     Q    22_A      3    4   78      1    3    3    4    4    5   10   16   19   50   73   76   76   77   77   77   77   77   77   78 
LCS_GDT     G    23_A     G    23_A      3   76   78      3    3    3    4    4    5    9   23   62   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     Q    24_A     Q    24_A      3   76   78      3    3    3    4    4    6   10   11   58   72   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     Q    25_A     Q    25_A     73   76   78      3    3    3    8   44   65   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     D    26_A     D    26_A     73   76   78     51   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     K    27_A     K    27_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     L    28_A     L    28_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     V    29_A     V    29_A     73   76   78     57   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     L    30_A     L    30_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     R    31_A     R    31_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     V    32_A     V    32_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     D    33_A     D    33_A     73   76   78     34   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     G    34_A     G    34_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     I    35_A     I    35_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     L    36_A     L    36_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     N    37_A     N    37_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     E    38_A     E    38_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     L    39_A     L    39_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     D    40_A     D    40_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     A    41_A     A    41_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     Q    42_A     Q    42_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     V    43_A     V    43_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     L    44_A     L    44_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     E    45_A     E    45_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     G    46_A     G    46_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     I    47_A     I    47_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     L    48_A     L    48_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     T    49_A     T    49_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     R    50_A     R    50_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     L    51_A     L    51_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     N    52_A     N    52_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     G    53_A     G    53_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     V    54_A     V    54_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     R    55_A     R    55_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     Q    56_A     Q    56_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     F    57_A     F    57_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     R    58_A     R    58_A     73   76   78     57   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     L    59_A     L    59_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     D    60_A     D    60_A     73   76   78      7   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     R    61_A     R    61_A     73   76   78      7   11   60   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     I    62_A     I    62_A     73   76   78      7   13   44   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     S    63_A     S    63_A     73   76   78      7   41   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     G    64_A     G    64_A     73   76   78      7   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     E    65_A     E    65_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     L    66_A     L    66_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     E    67_A     E    67_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     V    68_A     V    68_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     V    69_A     V    69_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     F    70_A     F    70_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     D    71_A     D    71_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     P    72_A     P    72_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     E    73_A     E    73_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     V    74_A     V    74_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     V    75_A     V    75_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     S    76_A     S    76_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     S    77_A     S    77_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     R    78_A     R    78_A     73   76   78     46   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     S    79_A     S    79_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     L    80_A     L    80_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     V    81_A     V    81_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     D    82_A     D    82_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     G    83_A     G    83_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     I    84_A     I    84_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     E    85_A     E    85_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     E    86_A     E    86_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     D    87_A     D    87_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     G    88_A     G    88_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     F    89_A     F    89_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     G    90_A     G    90_A     73   76   78     40   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     K    91_A     K    91_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     F    92_A     F    92_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     K    93_A     K    93_A     73   76   78     40   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     L    94_A     L    94_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     R    95_A     R    95_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     V    96_A     V    96_A     73   76   78     59   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     M    97_A     M    97_A     73   76   78     56   69   70   72   72   73   73   73   73   74   75   76   76   77   77   77   77   77   77   78 
LCS_GDT     S    98_A     S    98_A     73   76   78      2    3    3    3   72   73   73   73   73   74   74   75   76   77   77   77   77   77   77   78 
LCS_AVERAGE  LCS_A:  94.68  (  88.99   95.05  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     59     69     70     72     72     73     73     73     73     74     75     76     76     77     77     77     77     77     77     78 
GDT PERCENT_AT  75.64  88.46  89.74  92.31  92.31  93.59  93.59  93.59  93.59  94.87  96.15  97.44  97.44  98.72  98.72  98.72  98.72  98.72  98.72 100.00
GDT RMS_LOCAL    0.33   0.40   0.44   0.57   0.57   0.67   0.67   0.67   0.67   1.02   1.80   2.18   1.84   2.22   2.22   2.22   2.22   2.22   2.22   2.87
GDT RMS_ALL_AT   3.21   3.22   3.23   3.23   3.23   3.26   3.26   3.26   3.26   3.18   2.97   2.90   2.99   2.91   2.91   2.91   2.91   2.91   2.91   2.87

# Checking swapping
#   possible swapping detected:  D    26_A      D    26_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    40_A      D    40_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  F    70_A      F    70_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  E    86_A      E    86_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  F    92_A      F    92_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F    21_A      F    21_A    19.162     0    0.619   0.580    24.041    0.000    0.000
LGA    Q    22_A      Q    22_A    12.939     4    0.623   0.601    15.066    0.000    0.000
LGA    G    23_A      G    23_A    10.817     0    0.584   0.584    11.570    0.357    0.357
LGA    Q    24_A      Q    24_A     9.933     0    0.662   0.888    15.754    0.833    0.370
LGA    Q    25_A      Q    25_A     6.784     0    0.609   1.143    14.137   22.500   10.529
LGA    D    26_A      D    26_A     0.564     0    0.675   1.296     6.947   84.524   60.417
LGA    K    27_A      K    27_A     0.335     0    0.041   0.571     1.805   97.619   91.852
LGA    L    28_A      L    28_A     0.409     0    0.030   0.084     0.519  100.000   98.810
LGA    V    29_A      V    29_A     0.562     0    0.012   0.029     1.017   95.238   91.905
LGA    L    30_A      L    30_A     0.233     0    0.014   0.052     0.377  100.000  100.000
LGA    R    31_A      R    31_A     0.195     0    0.034   1.242     4.712  100.000   80.866
LGA    V    32_A      V    32_A     0.151     0    0.012   0.027     0.528   97.619   98.639
LGA    D    33_A      D    33_A     0.690     0    0.066   0.254     1.783   97.619   88.452
LGA    G    34_A      G    34_A     0.316     0    0.035   0.035     0.375  100.000  100.000
LGA    I    35_A      I    35_A     0.418     0    0.028   0.072     0.500  100.000  100.000
LGA    L    36_A      L    36_A     0.378     0    0.039   0.046     0.553   97.619   98.810
LGA    N    37_A      N    37_A     0.445     0    0.042   0.093     0.578   97.619   97.619
LGA    E    38_A      E    38_A     0.420     0    0.025   0.685     2.491  100.000   87.037
LGA    L    39_A      L    39_A     0.394     0    0.019   1.028     4.189  100.000   82.381
LGA    D    40_A      D    40_A     0.430     0    0.014   0.103     0.747  100.000   97.619
LGA    A    41_A      A    41_A     0.329     0    0.034   0.037     0.355  100.000  100.000
LGA    Q    42_A      Q    42_A     0.274     0    0.018   0.179     0.846  100.000   95.767
LGA    V    43_A      V    43_A     0.327     0    0.010   0.029     0.416  100.000  100.000
LGA    L    44_A      L    44_A     0.317     0    0.006   0.071     0.349  100.000  100.000
LGA    E    45_A      E    45_A     0.337     0    0.021   0.256     0.778  100.000   97.884
LGA    G    46_A      G    46_A     0.289     0    0.006   0.006     0.322  100.000  100.000
LGA    I    47_A      I    47_A     0.262     0    0.018   0.027     0.289  100.000  100.000
LGA    L    48_A      L    48_A     0.277     0    0.008   0.075     0.319  100.000  100.000
LGA    T    49_A      T    49_A     0.408     0    0.038   0.039     0.547   97.619   94.558
LGA    R    50_A      R    50_A     0.389     0    0.083   1.002     5.431  100.000   78.052
LGA    L    51_A      L    51_A     0.266     0    0.008   1.295     2.514  100.000   87.917
LGA    N    52_A      N    52_A     0.385     0    0.012   0.756     2.572  100.000   84.702
LGA    G    53_A      G    53_A     0.302     0    0.020   0.020     0.360  100.000  100.000
LGA    V    54_A      V    54_A     0.214     0    0.020   0.026     0.313  100.000  100.000
LGA    R    55_A      R    55_A     0.318     0    0.020   1.271     7.178  100.000   70.693
LGA    Q    56_A      Q    56_A     0.347     0    0.041   0.582     3.327  100.000   82.751
LGA    F    57_A      F    57_A     0.534     0    0.015   0.030     0.725   92.857   92.208
LGA    R    58_A      R    58_A     0.631     0    0.043   1.113     7.182   92.857   65.584
LGA    L    59_A      L    59_A     0.436     0    0.037   0.064     1.020   97.619   94.107
LGA    D    60_A      D    60_A     0.776     0    0.062   0.310     2.495   90.595   81.786
LGA    R    61_A      R    61_A     1.708     0    0.017   0.144     2.403   70.952   72.208
LGA    I    62_A      I    62_A     2.442     0    0.026   0.046     3.698   66.786   58.452
LGA    S    63_A      S    63_A     1.438     0    0.022   0.036     1.630   81.548   81.508
LGA    G    64_A      G    64_A     0.835     0    0.075   0.075     0.951   90.476   90.476
LGA    E    65_A      E    65_A     0.384     0    0.027   0.120     1.985  100.000   87.831
LGA    L    66_A      L    66_A     0.480     0    0.029   0.027     0.553   97.619   98.810
LGA    E    67_A      E    67_A     0.496     0    0.071   0.824     3.009  100.000   86.296
LGA    V    68_A      V    68_A     0.296     0    0.022   0.019     0.378  100.000  100.000
LGA    V    69_A      V    69_A     0.340     0    0.032   0.056     0.486  100.000  100.000
LGA    F    70_A      F    70_A     0.308     0    0.049   0.079     0.427  100.000  100.000
LGA    D    71_A      D    71_A     0.395     0    0.055   0.068     0.463  100.000  100.000
LGA    P    72_A      P    72_A     0.375     0    0.013   0.034     0.462  100.000  100.000
LGA    E    73_A      E    73_A     0.399     0    0.047   0.357     1.344   97.619   94.762
LGA    V    74_A      V    74_A     0.369     0    0.031   0.048     0.460  100.000  100.000
LGA    V    75_A      V    75_A     0.277     0    0.013   0.040     0.353  100.000  100.000
LGA    S    76_A      S    76_A     0.374     0    0.025   0.053     0.467  100.000  100.000
LGA    S    77_A      S    77_A     0.327     0    0.014   0.019     0.558   95.238   96.825
LGA    R    78_A      R    78_A     0.833     0    0.071   1.246     6.933   90.476   64.372
LGA    S    79_A      S    79_A     0.442     0    0.009   0.011     0.584   97.619   98.413
LGA    L    80_A      L    80_A     0.359     0    0.007   1.024     2.296  100.000   91.012
LGA    V    81_A      V    81_A     0.361     0    0.024   0.027     0.412  100.000  100.000
LGA    D    82_A      D    82_A     0.339     0    0.023   0.131     0.764  100.000   96.429
LGA    G    83_A      G    83_A     0.193     0    0.009   0.009     0.266  100.000  100.000
LGA    I    84_A      I    84_A     0.126     0    0.014   0.029     0.217  100.000  100.000
LGA    E    85_A      E    85_A     0.342     0    0.015   0.189     1.354  100.000   94.762
LGA    E    86_A      E    86_A     0.169     0    0.030   0.715     3.657  100.000   84.815
LGA    D    87_A      D    87_A     0.269     0    0.018   0.180     0.889  100.000   96.429
LGA    G    88_A      G    88_A     0.452     0    0.071   0.071     0.452  100.000  100.000
LGA    F    89_A      F    89_A     0.548     0    0.029   0.136     0.738   92.857   93.074
LGA    G    90_A      G    90_A     0.756     0    0.023   0.023     0.822   90.476   90.476
LGA    K    91_A      K    91_A     0.582     0    0.011   0.457     1.210   90.476   88.466
LGA    F    92_A      F    92_A     0.427     0    0.017   0.039     0.576   95.238   98.268
LGA    K    93_A      K    93_A     0.707     0    0.042   0.906     6.411   95.238   71.640
LGA    L    94_A      L    94_A     0.282     0    0.012   0.126     0.638   97.619   94.048
LGA    R    95_A      R    95_A     0.190     0    0.040   1.483     5.824  100.000   72.987
LGA    V    96_A      V    96_A     0.113     0    0.041   0.062     0.288  100.000  100.000
LGA    M    97_A      M    97_A     0.638     0    0.639   0.670     1.898   86.071   90.655
LGA    S    98_A      S    98_A     3.112     1    0.629   0.594     6.009   38.929   30.317

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       78     312    312  100.00     613    613  100.00                78
SUMMARY(RMSD_GDC):     2.868          2.792                  3.504           90.235   85.064

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     73    0.67    93.269    93.972     9.442

LGA_LOCAL      RMSD:   0.673  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.261  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   2.868  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.607695 * X  +   0.760003 * Y  +  -0.230439 * Z  +   8.665812
  Y_new =   0.219878 * X  +   0.439831 * Y  +   0.870748 * Z  + -12.726966
  Z_new =   0.763125 * X  +   0.478481 * Y  +  -0.434391 * Z  +  -8.481685 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.794424 -0.868136  2.307935   [DEG:  160.1087  -49.7405  132.2349 ]
ZXZ: -2.882879  2.020159  1.010759   [DEG: -165.1768  115.7466   57.9122 ]
 
# END of job
