
#######################################################
#                                                     #
#                        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        2.07     2.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77      22_A - 98_A        1.89     2.09
  LCS_AVERAGE:     98.57

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56      25_A - 80_A        0.99     2.16
  LCS_AVERAGE:     57.45

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   68   78      0    3   23   27   29   40   57   69   73   74   75   78   78   78   78   78   78   78   78   78 
LCS_GDT     Q    22_A     Q    22_A      3   77   78      1    3    5    7    8   10   19   22   54   74   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    23_A     G    23_A      4   77   78      4    4   21   42   57   70   71   72   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     Q    24_A     Q    24_A     24   77   78      4    4    8   40   59   70   71   72   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     Q    25_A     Q    25_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    26_A     D    26_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     K    27_A     K    27_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    28_A     L    28_A     56   77   78     11   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    29_A     V    29_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    30_A     L    30_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    31_A     R    31_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    32_A     V    32_A     56   77   78     13   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    33_A     D    33_A     56   77   78     12   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    34_A     G    34_A     56   77   78     12   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     I    35_A     I    35_A     56   77   78     12   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    36_A     L    36_A     56   77   78     12   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     N    37_A     N    37_A     56   77   78     14   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    38_A     E    38_A     56   77   78     14   40   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    39_A     L    39_A     56   77   78     14   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    40_A     D    40_A     56   77   78     14   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     A    41_A     A    41_A     56   77   78     14   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     Q    42_A     Q    42_A     56   77   78     14   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    43_A     V    43_A     56   77   78     14   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    44_A     L    44_A     56   77   78     14   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    45_A     E    45_A     56   77   78     14   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    46_A     G    46_A     56   77   78     14   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     I    47_A     I    47_A     56   77   78     14   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    48_A     L    48_A     56   77   78     14   40   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     T    49_A     T    49_A     56   77   78     14   40   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    50_A     R    50_A     56   77   78     14   40   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    51_A     L    51_A     56   77   78     12   40   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     N    52_A     N    52_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    53_A     G    53_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    54_A     V    54_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    55_A     R    55_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     Q    56_A     Q    56_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     F    57_A     F    57_A     56   77   78      7   35   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    58_A     R    58_A     56   77   78     18   37   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    59_A     L    59_A     56   77   78     12   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    60_A     D    60_A     56   77   78     12   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    61_A     R    61_A     56   77   78      7   36   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     I    62_A     I    62_A     56   77   78      7   36   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     S    63_A     S    63_A     56   77   78     13   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    64_A     G    64_A     56   77   78     12   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    65_A     E    65_A     56   77   78     10   37   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    66_A     L    66_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    67_A     E    67_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    68_A     V    68_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    69_A     V    69_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     F    70_A     F    70_A     56   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    71_A     D    71_A     56   77   78     11   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     P    72_A     P    72_A     56   77   78      7   39   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    73_A     E    73_A     56   77   78      7   39   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    74_A     V    74_A     56   77   78      7   39   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    75_A     V    75_A     56   77   78      6   38   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     S    76_A     S    76_A     56   77   78      7   36   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     S    77_A     S    77_A     56   77   78      9   36   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    78_A     R    78_A     56   77   78      8   35   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     S    79_A     S    79_A     56   77   78      9   27   60   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    80_A     L    80_A     56   77   78      9   27   57   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    81_A     V    81_A     36   77   78      9   36   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    82_A     D    82_A     36   77   78      9   36   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    83_A     G    83_A     36   77   78      9   27   57   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     I    84_A     I    84_A     36   77   78      9   26   59   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    85_A     E    85_A     36   77   78      9   36   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     E    86_A     E    86_A     36   77   78      9   36   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     D    87_A     D    87_A     34   77   78      4   10   13   51   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    88_A     G    88_A      3   77   78      3    3    3    3    4   50   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     F    89_A     F    89_A      4   77   78      3    5    8   16   54   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     G    90_A     G    90_A      4   77   78      3   10   21   47   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     K    91_A     K    91_A      8   77   78      3    8   29   51   66   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     F    92_A     F    92_A      8   77   78      3   23   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     K    93_A     K    93_A      8   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     L    94_A     L    94_A      8   77   78     18   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     R    95_A     R    95_A      8   77   78      9   28   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     V    96_A     V    96_A      8   77   78      9   28   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     M    97_A     M    97_A      8   77   78      9   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_GDT     S    98_A     S    98_A      8   77   78     12   41   62   69   70   72   73   74   75   76   76   78   78   78   78   78   78   78   78   78 
LCS_AVERAGE  LCS_A:  85.34  (  57.45   98.57  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     18     41     62     69     70     72     73     74     75     76     76     78     78     78     78     78     78     78     78     78 
GDT PERCENT_AT  23.08  52.56  79.49  88.46  89.74  92.31  93.59  94.87  96.15  97.44  97.44 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.68   0.96   1.09   1.15   1.27   1.38   1.45   1.57   1.66   1.66   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07
GDT RMS_ALL_AT   2.48   2.24   2.18   2.15   2.14   2.16   2.16   2.17   2.13   2.13   2.13   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07

# Checking swapping
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  E    85_A      E    85_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F    21_A      F    21_A     8.572     0    0.607   0.761    11.618    4.048    1.818
LGA    Q    22_A      Q    22_A     8.676     4    0.664   0.624     9.641    8.571    3.862
LGA    G    23_A      G    23_A     5.744     0    0.668   0.668     6.116   24.048   24.048
LGA    Q    24_A      Q    24_A     5.276     0    0.075   1.253    12.407   33.571   16.931
LGA    Q    25_A      Q    25_A     1.489     0    0.254   1.285     3.302   75.357   72.593
LGA    D    26_A      D    26_A     1.008     0    0.079   0.744     3.159   85.952   75.774
LGA    K    27_A      K    27_A     1.160     0    0.069   0.589     2.956   79.286   75.079
LGA    L    28_A      L    28_A     1.276     0    0.110   1.392     5.051   83.690   70.536
LGA    V    29_A      V    29_A     0.828     0    0.100   0.094     1.411   90.476   86.599
LGA    L    30_A      L    30_A     0.573     0    0.053   0.197     1.660   92.857   87.202
LGA    R    31_A      R    31_A     0.658     0    0.023   1.096     3.755   90.476   79.827
LGA    V    32_A      V    32_A     0.861     0    0.118   0.127     1.896   83.810   88.027
LGA    D    33_A      D    33_A     1.275     0    0.009   0.122     2.444   85.952   76.369
LGA    G    34_A      G    34_A     0.807     0    0.021   0.021     0.910   90.476   90.476
LGA    I    35_A      I    35_A     0.774     0    0.050   0.070     1.086   88.214   89.345
LGA    L    36_A      L    36_A     0.611     0    0.012   0.046     0.977   90.476   90.476
LGA    N    37_A      N    37_A     0.971     0    0.031   0.194     1.586   85.952   82.619
LGA    E    38_A      E    38_A     1.273     0    0.031   0.851     3.871   81.429   64.497
LGA    L    39_A      L    39_A     1.383     0    0.017   0.884     3.410   81.429   73.393
LGA    D    40_A      D    40_A     1.219     0    0.032   0.142     1.728   81.429   80.357
LGA    A    41_A      A    41_A     1.139     0    0.023   0.029     1.230   81.429   81.429
LGA    Q    42_A      Q    42_A     1.244     0    0.035   0.162     1.581   81.429   80.476
LGA    V    43_A      V    43_A     1.284     0    0.029   0.035     1.293   81.429   81.429
LGA    L    44_A      L    44_A     1.224     0    0.015   1.397     3.085   81.429   73.393
LGA    E    45_A      E    45_A     1.409     0    0.057   0.306     1.650   77.143   80.529
LGA    G    46_A      G    46_A     1.392     0    0.025   0.025     1.432   81.429   81.429
LGA    I    47_A      I    47_A     1.149     0    0.028   0.702     2.895   81.429   81.786
LGA    L    48_A      L    48_A     1.540     0    0.020   0.062     1.789   75.000   73.929
LGA    T    49_A      T    49_A     1.830     0    0.042   0.913     3.103   72.857   68.435
LGA    R    50_A      R    50_A     1.744     0    0.032   0.955     2.956   72.857   69.221
LGA    L    51_A      L    51_A     1.746     0    0.048   1.288     2.991   77.143   75.417
LGA    N    52_A      N    52_A     1.297     0    0.038   0.758     1.937   79.286   77.143
LGA    G    53_A      G    53_A     1.230     0    0.061   0.061     1.276   81.429   81.429
LGA    V    54_A      V    54_A     1.045     0    0.063   0.119     1.388   81.429   82.721
LGA    R    55_A      R    55_A     0.723     0    0.097   1.060     4.427   90.476   78.658
LGA    Q    56_A      Q    56_A     0.099     0    0.068   0.552     3.172  100.000   81.005
LGA    F    57_A      F    57_A     1.092     0    0.044   0.162     2.439   83.690   76.147
LGA    R    58_A      R    58_A     1.145     0    0.051   1.157     6.744   83.690   58.528
LGA    L    59_A      L    59_A     0.633     0    0.031   0.724     2.504   95.238   85.476
LGA    D    60_A      D    60_A     0.608     0    0.032   0.519     2.695   95.238   87.560
LGA    R    61_A      R    61_A     0.988     0    0.102   1.611     9.851   88.214   51.039
LGA    I    62_A      I    62_A     1.058     0    0.027   0.045     1.964   88.214   81.607
LGA    S    63_A      S    63_A     0.668     0    0.056   0.651     2.225   90.476   86.190
LGA    G    64_A      G    64_A     0.778     0    0.205   0.205     1.192   88.214   88.214
LGA    E    65_A      E    65_A     1.307     0    0.073   0.206     2.709   81.429   74.074
LGA    L    66_A      L    66_A     0.698     0    0.062   1.403     2.916   90.476   79.940
LGA    E    67_A      E    67_A     0.741     0    0.034   0.431     1.936   90.476   86.508
LGA    V    68_A      V    68_A     0.518     0    0.042   0.052     0.623   95.238   95.918
LGA    V    69_A      V    69_A     0.433     0    0.054   0.095     0.558  100.000   98.639
LGA    F    70_A      F    70_A     0.715     0    0.053   0.119     0.957   90.476   90.476
LGA    D    71_A      D    71_A     0.512     0    0.035   0.184     1.224   95.238   91.726
LGA    P    72_A      P    72_A     0.414     0    0.021   0.041     0.713  100.000   95.918
LGA    E    73_A      E    73_A     0.431     0    0.038   0.815     3.228  100.000   86.296
LGA    V    74_A      V    74_A     0.288     0    0.023   0.157     0.506   97.619   98.639
LGA    V    75_A      V    75_A     0.806     0    0.029   0.041     1.553   95.238   88.095
LGA    S    76_A      S    76_A     1.179     0    0.081   0.140     1.291   81.429   81.429
LGA    S    77_A      S    77_A     0.937     0    0.038   0.051     1.148   85.952   87.460
LGA    R    78_A      R    78_A     1.297     0    0.072   1.095     5.661   81.429   64.892
LGA    S    79_A      S    79_A     1.573     0    0.034   0.096     2.376   75.000   71.587
LGA    L    80_A      L    80_A     1.698     0    0.022   1.386     2.787   75.000   72.024
LGA    V    81_A      V    81_A     0.942     0    0.057   0.066     1.148   88.214   87.891
LGA    D    82_A      D    82_A     0.996     0    0.098   0.855     4.956   85.952   68.750
LGA    G    83_A      G    83_A     1.720     0    0.022   0.022     1.720   75.000   75.000
LGA    I    84_A      I    84_A     1.671     0    0.084   0.670     3.061   70.833   66.964
LGA    E    85_A      E    85_A     0.817     0    0.080   0.328     1.124   90.476   88.466
LGA    E    86_A      E    86_A     1.257     0    0.281   0.739     2.863   83.690   74.127
LGA    D    87_A      D    87_A     3.256     0    0.642   0.588     7.697   51.905   34.940
LGA    G    88_A      G    88_A     4.183     0    0.061   0.061     4.183   43.452   43.452
LGA    F    89_A      F    89_A     4.638     0    0.409   0.299    11.016   45.476   21.602
LGA    G    90_A      G    90_A     3.125     0    0.020   0.020     4.096   54.167   54.167
LGA    K    91_A      K    91_A     3.088     0    0.123   0.728     7.395   57.262   35.926
LGA    F    92_A      F    92_A     1.454     0    0.056   0.354     2.122   77.143   75.281
LGA    K    93_A      K    93_A     1.411     0    0.154   0.885     5.267   79.286   65.344
LGA    L    94_A      L    94_A     0.777     0    0.054   1.330     3.137   83.810   75.714
LGA    R    95_A      R    95_A     1.751     0    0.044   1.491     9.927   77.143   44.329
LGA    V    96_A      V    96_A     1.464     0    0.022   0.047     1.825   79.286   76.531
LGA    M    97_A      M    97_A     0.892     0    0.035   0.159     0.988   90.476   90.476
LGA    S    98_A      S    98_A     0.637     1    0.687   0.643     2.465   86.429   72.698

# 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):     2.070          1.955                  2.889           79.509   73.183

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     74    1.45    83.974    91.377     4.766

LGA_LOCAL      RMSD:   1.453  Number of atoms:   74  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.165  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   2.070  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.318148 * X  +  -0.674202 * Y  +   0.666508 * Z  +   5.193143
  Y_new =   0.932552 * X  +  -0.349119 * Y  +   0.091991 * Z  + -26.759029
  Z_new =   0.170670 * X  +   0.650820 * Y  +   0.739800 * Z  + -21.239212 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.899573 -0.171509  0.721500   [DEG:  108.8375   -9.8268   41.3389 ]
ZXZ:  1.707950  0.738023  0.256463   [DEG:   97.8583   42.2856   14.6942 ]
 
# END of job
