
#######################################################
#                                                     #
#                        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   76 (  618),  selected   76 , name one
# Molecule2: number of CA atoms   79 (  633),  selected   76 , 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:    72      29_A - 100_A       4.96    11.12
  LCS_AVERAGE:     87.14

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      33_A - 100_A       1.95    11.54
  LCS_AVERAGE:     78.48

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39      45_A - 83_A        1.00    11.58
  LONGEST_CONTINUOUS_SEGMENT:    39      57_A - 95_A        0.98    11.63
  LONGEST_CONTINUOUS_SEGMENT:    39      58_A - 96_A        0.95    11.61
  LCS_AVERAGE:     41.69

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   76
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     S    25_A     S    25_A     10   11   12      7    9   10   10   10   10   10   11   11   11   11   11   12   12   12   14   14   16   18   19 
LCS_GDT     M    26_A     M    26_A     10   11   12      5    9   10   10   10   10   10   11   11   11   11   11   12   12   12   14   15   17   18   19 
LCS_GDT     K    27_A     K    27_A     10   11   12      7    9   10   10   10   10   10   11   11   11   11   11   12   12   12   14   15   17   18   19 
LCS_GDT     I    28_A     I    28_A     10   11   12      7    9   10   10   10   10   10   11   11   11   11   11   12   12   12   14   15   17   18   19 
LCS_GDT     Y    29_A     Y    29_A     10   11   72      7    9   10   10   10   10   10   11   11   11   11   11   12   12   12   14   15   17   19   19 
LCS_GDT     V    30_A     V    30_A     10   11   72      7    9   10   10   10   10   10   11   11   11   11   11   12   12   12   14   15   17   18   19 
LCS_GDT     K    31_A     K    31_A     10   11   72      7    9   10   10   10   10   10   11   11   11   11   11   12   12   26   35   42   61   66   70 
LCS_GDT     L    32_A     L    32_A     10   11   72      4    9   10   10   10   10   10   11   11   11   11   11   21   57   64   67   68   68   69   70 
LCS_GDT     Q    33_A     Q    33_A     10   68   72      7    9   10   10   10   10   17   60   64   65   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     D    34_A     D    34_A     10   68   72      3    8   10   45   57   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     G    35_A     G    35_A     11   68   72      4    9   13   39   58   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     T    36_A     T    36_A     19   68   72      4   28   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     V    37_A     V    37_A     35   68   72     11   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     I    38_A     I    38_A     35   68   72     13   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     E    39_A     E    39_A     35   68   72      5   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     L    40_A     L    40_A     35   68   72      5   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     E    41_A     E    41_A     35   68   72      5   14   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     V    42_A     V    42_A     35   68   72      5   34   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     E    43_A     E    43_A     35   68   72      5   18   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     P    44_A     P    44_A     35   68   72      6   26   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     S    45_A     S    45_A     39   68   72      7   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     D    46_A     D    46_A     39   68   72     16   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     T    47_A     T    47_A     39   68   72      5   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     I    48_A     I    48_A     39   68   72      5   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     L    49_A     L    49_A     39   68   72      5   34   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     E    50_A     E    50_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     V    51_A     V    51_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     K    52_A     K    52_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     E    53_A     E    53_A     39   68   72      4   38   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     K    54_A     K    54_A     39   68   72      4   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     I    55_A     I    55_A     39   68   72      4   11   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     Y    56_A     Y    56_A     39   68   72      4    7   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     E    57_A     E    57_A     39   68   72      4    7   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     K    58_A     K    58_A     39   68   72      4   32   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     T    59_A     T    59_A     39   68   72      7   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     G    60_A     G    60_A     39   68   72      7   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     I    61_A     I    61_A     39   68   72      7   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     P    62_A     P    62_A     39   68   72     10   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     P    63_A     P    63_A     39   68   72     17   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     E    64_A     E    64_A     39   68   72     17   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     D    65_A     D    65_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     Q    66_A     Q    66_A     39   68   72     17   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     I    67_A     I    67_A     39   68   72     15   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     L    68_A     L    68_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     I    69_A     I    69_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     Y    70_A     Y    70_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     K    71_A     K    71_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     G    72_A     G    72_A     39   68   72      3   20   48   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     K    73_A     K    73_A     39   68   72      3   38   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     V    74_A     V    74_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     L    75_A     L    75_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     E    76_A     E    76_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     D    77_A     D    77_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     S    78_A     S    78_A     39   68   72     10   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     K    79_A     K    79_A     39   68   72     11   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     T    80_A     T    80_A     39   68   72     11   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     L    81_A     L    81_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     A    82_A     A    82_A     39   68   72      3   26   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     D    83_A     D    83_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     Y    84_A     Y    84_A     39   68   72      5   39   49   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     N    85_A     N    85_A     39   68   72      5    8   45   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     I    86_A     I    86_A     39   68   72      5   38   49   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     Q    87_A     Q    87_A     39   68   72      5   14   48   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     E    88_A     E    88_A     39   68   72      5   30   49   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     N    89_A     N    89_A     39   68   72      4   38   49   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     D    90_A     D    90_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     V    91_A     V    91_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     L    92_A     L    92_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     Y    93_A     Y    93_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     L    94_A     L    94_A     39   68   72     19   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     V    95_A     V    95_A     39   68   72     12   39   50   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     R    96_A     R    96_A     39   68   72      7   33   49   58   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     R    97_A     R    97_A     36   68   72      4    6   15   51   62   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     L    98_A     L    98_A     13   68   72      4    9   15   45   57   63   65   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     K    99_A     K    99_A     13   68   72      3    9   14   25   44   59   64   65   66   67   67   67   68   68   68   68   68   68   69   70 
LCS_GDT     S   100_A     S   100_A      3   68   72      3    3    4    9   13   17   23   31   60   67   67   67   68   68   68   68   68   68   69   70 
LCS_AVERAGE  LCS_A:  69.10  (  41.69   78.48   87.14 )

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     19     39     50     58     62     63     65     65     66     67     67     67     68     68     68     68     68     68     69     70 
GDT PERCENT_AT  24.05  49.37  63.29  73.42  78.48  79.75  82.28  82.28  83.54  84.81  84.81  84.81  86.08  86.08  86.08  86.08  86.08  86.08  87.34  88.61
GDT RMS_LOCAL    0.36   0.69   0.91   1.07   1.20   1.29   1.42   1.42   1.56   1.79   1.74   1.74   1.95   1.95   1.95   1.95   1.95   1.95   2.40   2.95
GDT RMS_ALL_AT  11.60  11.59  11.57  11.57  11.56  11.55  11.53  11.53  11.53  11.53  11.54  11.54  11.54  11.54  11.54  11.54  11.54  11.54  11.48  11.39

# Checking swapping
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  D    34_A      D    34_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  Y    84_A      Y    84_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  Y    93_A      Y    93_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S    25_A      S    25_A    54.692     0    0.069   0.551    56.713    0.000    0.000
LGA    M    26_A      M    26_A    47.852     0    0.172   1.048    50.073    0.000    0.000
LGA    K    27_A      K    27_A    41.534     0    0.079   0.729    46.613    0.000    0.000
LGA    I    28_A      I    28_A    34.731     0    0.044   1.189    37.178    0.000    0.000
LGA    Y    29_A      Y    29_A    27.569     0    0.037   0.098    35.024    0.000    0.000
LGA    V    30_A      V    30_A    22.488     0    0.043   0.064    26.747    0.000    0.000
LGA    K    31_A      K    31_A    14.946     0    0.197   0.755    17.663    0.000    0.000
LGA    L    32_A      L    32_A    11.876     0    0.169   1.328    15.321    2.143    1.071
LGA    Q    33_A      Q    33_A     6.542     0    0.485   1.446     8.545   15.952   16.931
LGA    D    34_A      D    34_A     3.450     0    0.434   1.247     6.240   47.143   36.548
LGA    G    35_A      G    35_A     3.514     0    0.682   0.682     3.766   48.452   48.452
LGA    T    36_A      T    36_A     1.522     0    0.061   0.099     2.393   81.667   76.735
LGA    V    37_A      V    37_A     0.624     0    0.098   1.031     3.045   92.857   82.381
LGA    I    38_A      I    38_A     0.741     0    0.041   0.112     1.222   90.476   88.214
LGA    E    39_A      E    39_A     0.907     0    0.016   0.089     1.092   85.952   85.450
LGA    L    40_A      L    40_A     1.122     0    0.042   0.188     1.562   81.429   80.357
LGA    E    41_A      E    41_A     1.432     0    0.502   1.003     3.389   71.429   63.651
LGA    V    42_A      V    42_A     1.624     0    0.039   0.080     3.359   81.548   69.048
LGA    E    43_A      E    43_A     1.786     0    0.060   1.100     3.813   72.857   63.757
LGA    P    44_A      P    44_A     1.711     0    0.075   0.306     2.038   75.000   72.925
LGA    S    45_A      S    45_A     0.958     0    0.034   0.666     2.576   88.214   83.413
LGA    D    46_A      D    46_A     0.570     0    0.000   0.074     0.960   90.476   90.476
LGA    T    47_A      T    47_A     0.769     0    0.060   0.257     1.334   90.476   89.184
LGA    I    48_A      I    48_A     0.834     0    0.014   0.071     1.261   88.214   84.821
LGA    L    49_A      L    49_A     1.156     0    0.018   0.094     1.925   83.690   79.345
LGA    E    50_A      E    50_A     0.915     0    0.038   0.316     1.442   85.952   87.460
LGA    V    51_A      V    51_A     0.690     0    0.025   0.232     1.300   95.238   91.905
LGA    K    52_A      K    52_A     0.537     0    0.062   0.231     0.979   92.857   93.651
LGA    E    53_A      E    53_A     1.110     0    0.095   0.878     3.834   88.214   72.011
LGA    K    54_A      K    54_A     0.976     0    0.108   1.090     4.727   85.952   67.778
LGA    I    55_A      I    55_A     2.059     0    0.166   1.141     3.249   70.833   63.155
LGA    Y    56_A      Y    56_A     1.889     0    0.086   0.203     2.210   70.833   73.611
LGA    E    57_A      E    57_A     1.834     0    0.046   0.905     3.649   72.857   67.778
LGA    K    58_A      K    58_A     1.477     0    0.121   1.116     5.685   79.286   62.751
LGA    T    59_A      T    59_A     1.134     0    0.060   0.149     1.241   81.429   81.429
LGA    G    60_A      G    60_A     1.236     0    0.105   0.105     1.543   79.286   79.286
LGA    I    61_A      I    61_A     1.149     0    0.051   0.549     3.098   85.952   79.762
LGA    P    62_A      P    62_A     0.755     0    0.066   0.241     1.282   90.476   89.252
LGA    P    63_A      P    63_A     0.457     0    0.126   0.181     0.540   97.619   97.279
LGA    E    64_A      E    64_A     0.813     0    0.142   0.624     1.832   90.476   81.640
LGA    D    65_A      D    65_A     0.689     0    0.077   0.068     1.392   92.857   88.274
LGA    Q    66_A      Q    66_A     0.188     0    0.086   0.291     1.497  100.000   95.820
LGA    I    67_A      I    67_A     0.305     0    0.059   1.102     2.783  100.000   84.702
LGA    L    68_A      L    68_A     0.691     0    0.043   0.257     0.902   90.476   90.476
LGA    I    69_A      I    69_A     0.693     0    0.063   0.495     1.106   90.476   89.345
LGA    Y    70_A      Y    70_A     0.310     0    0.260   1.354     9.720   88.810   51.905
LGA    K    71_A      K    71_A     0.313     0    0.269   0.707     4.897   90.595   70.000
LGA    G    72_A      G    72_A     2.141     0    0.554   0.554     2.141   77.381   77.381
LGA    K    73_A      K    73_A     1.121     0    0.062   0.765     3.238   81.548   67.354
LGA    V    74_A      V    74_A     0.584     0    0.040   1.257     3.093   90.476   81.020
LGA    L    75_A      L    75_A     0.615     0    0.010   0.927     2.925   90.476   81.012
LGA    E    76_A      E    76_A     0.783     0    0.061   0.231     2.498   90.476   82.698
LGA    D    77_A      D    77_A     0.669     0    0.583   0.942     3.123   80.357   78.869
LGA    S    78_A      S    78_A     0.886     0    0.131   0.634     3.109   85.952   80.714
LGA    K    79_A      K    79_A     0.659     0    0.028   0.115     1.042   88.214   88.466
LGA    T    80_A      T    80_A     0.548     0    0.046   0.259     1.120   92.857   90.544
LGA    L    81_A      L    81_A     0.415     0    0.087   1.291     4.171   92.976   80.833
LGA    A    82_A      A    82_A     1.606     0    0.149   0.168     2.419   79.286   76.381
LGA    D    83_A      D    83_A     0.520     0    0.112   0.259     1.771   83.810   89.524
LGA    Y    84_A      Y    84_A     1.361     0    0.095   0.208     1.933   77.143   74.286
LGA    N    85_A      N    85_A     2.283     0    0.045   1.020     4.290   66.786   56.845
LGA    I    86_A      I    86_A     1.632     0    0.025   0.129     2.438   68.810   75.179
LGA    Q    87_A      Q    87_A     2.317     0    0.076   0.390     3.129   64.762   61.429
LGA    E    88_A      E    88_A     2.061     0    0.053   0.907     5.513   70.952   51.958
LGA    N    89_A      N    89_A     1.541     0    0.146   0.157     2.119   75.000   72.917
LGA    D    90_A      D    90_A     0.399     0    0.059   0.158     0.693   95.238   96.429
LGA    V    91_A      V    91_A     0.490     0    0.010   0.039     0.790  100.000   95.918
LGA    L    92_A      L    92_A     0.516     0    0.136   1.012     2.535   95.238   85.357
LGA    Y    93_A      Y    93_A     0.814     0    0.019   0.156     1.445   90.476   86.706
LGA    L    94_A      L    94_A     0.727     0    0.085   1.121     2.889   88.214   81.845
LGA    V    95_A      V    95_A     0.835     0    0.113   0.193     1.388   90.476   86.599
LGA    R    96_A      R    96_A     1.551     0    0.057   1.333     4.371   69.048   55.887
LGA    R    97_A      R    97_A     2.850     0    0.088   0.995     3.986   57.262   58.745
LGA    L    98_A      L    98_A     3.810     0    0.486   0.913     7.552   46.786   34.524
LGA    K    99_A      K    99_A     5.636     0    0.579   1.264     7.249   18.690   16.138
LGA    S   100_A      S   100_A     7.997     0    0.202   0.918     8.642    7.024    8.016

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       76     304    304  100.00     618    618  100.00                79
SUMMARY(RMSD_GDC):    10.649         10.516                 10.606           68.660   63.868

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   76   79    4.0     65    1.42    72.785    77.121     4.289

LGA_LOCAL      RMSD:   1.415  Number of atoms:   65  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  11.534  Number of assigned atoms:   76 
Std_ASGN_ATOMS RMSD:  10.649  Standard rmsd on all 76 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.654298 * X  +   0.542112 * Y  +  -0.527265 * Z  + -116.961510
  Y_new =   0.597734 * X  +  -0.797836 * Y  +  -0.078558 * Z  +  89.397125
  Z_new =  -0.463259 * X  +  -0.263764 * Y  +  -0.846062 * Z  + -11.149950 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.740251  0.481669 -2.839386   [DEG:   42.4133   27.5976 -162.6849 ]
ZXZ: -1.422893  2.579350 -2.088387   [DEG:  -81.5258  147.7858 -119.6558 ]
 
# END of job
