
#######################################################
#                                                     #
#                        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        4.35     4.35
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      25_A - 98_A        1.72     4.67
  LCS_AVERAGE:     90.34

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      30_A - 61_A        0.98     4.84
  LCS_AVERAGE:     31.54

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    5   78      3    4    4    4    6    6    7    7    9   10   12   13   16   16   18   22   24   25   32   41 
LCS_GDT     Q    22_A     Q    22_A      3    5   78      3    4    4    4    6    6    7    7    9   11   14   17   18   28   28   31   33   36   44   74 
LCS_GDT     G    23_A     G    23_A      3    5   78      3    4    4    5    5    7    7    8    8    9   10   13   18   21   22   30   31   36   40   41 
LCS_GDT     Q    24_A     Q    24_A      3    5   78      3    4    5    5    5    7    8   20   28   32   61   70   74   75   75   75   75   75   75   75 
LCS_GDT     Q    25_A     Q    25_A      3   74   78      3    4    5    5    9   11   54   70   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     D    26_A     D    26_A     31   74   78      8   32   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     K    27_A     K    27_A     31   74   78     10   30   52   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     L    28_A     L    28_A     31   74   78      3   20   52   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     V    29_A     V    29_A     31   74   78      7   30   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     L    30_A     L    30_A     32   74   78     10   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     R    31_A     R    31_A     32   74   78     14   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     V    32_A     V    32_A     32   74   78     14   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     D    33_A     D    33_A     32   74   78     13   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     G    34_A     G    34_A     32   74   78     10   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     I    35_A     I    35_A     32   74   78      7   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     L    36_A     L    36_A     32   74   78     10   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     N    37_A     N    37_A     32   74   78      7   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     E    38_A     E    38_A     32   74   78      6   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     L    39_A     L    39_A     32   74   78      7   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     D    40_A     D    40_A     32   74   78      7   30   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     A    41_A     A    41_A     32   74   78      7   30   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     Q    42_A     Q    42_A     32   74   78      7   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     V    43_A     V    43_A     32   74   78      7   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     L    44_A     L    44_A     32   74   78      7   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     E    45_A     E    45_A     32   74   78      7   31   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     G    46_A     G    46_A     32   74   78      7   30   52   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     I    47_A     I    47_A     32   74   78     13   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     L    48_A     L    48_A     32   74   78      5   25   52   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     T    49_A     T    49_A     32   74   78      7   26   52   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     R    50_A     R    50_A     32   74   78     10   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     L    51_A     L    51_A     32   74   78     10   30   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     N    52_A     N    52_A     32   74   78      8   23   51   67   68   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     G    53_A     G    53_A     32   74   78      8   30   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     V    54_A     V    54_A     32   74   78     10   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     R    55_A     R    55_A     32   74   78     14   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     Q    56_A     Q    56_A     32   74   78     14   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     F    57_A     F    57_A     32   74   78     10   30   50   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     R    58_A     R    58_A     32   74   78     14   32   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     L    59_A     L    59_A     32   74   78     14   32   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     D    60_A     D    60_A     32   74   78      6   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     R    61_A     R    61_A     32   74   78      5   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     I    62_A     I    62_A     23   74   78      4   18   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     S    63_A     S    63_A     23   74   78      7   16   51   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     G    64_A     G    64_A     23   74   78      5   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     E    65_A     E    65_A     23   74   78      5   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     L    66_A     L    66_A     23   74   78     14   32   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     E    67_A     E    67_A     23   74   78     14   32   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     V    68_A     V    68_A     23   74   78     14   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     V    69_A     V    69_A     23   74   78     14   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     F    70_A     F    70_A     23   74   78     14   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     D    71_A     D    71_A     23   74   78      9   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     P    72_A     P    72_A     23   74   78      5   31   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     E    73_A     E    73_A     23   74   78      5   28   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     V    74_A     V    74_A     23   74   78     13   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     V    75_A     V    75_A     23   74   78      8   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     S    76_A     S    76_A     23   74   78      8   23   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     S    77_A     S    77_A     21   74   78      5   22   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     R    78_A     R    78_A     21   74   78      6   18   40   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     S    79_A     S    79_A     21   74   78      7   19   40   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     L    80_A     L    80_A     21   74   78      6   20   43   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     V    81_A     V    81_A     21   74   78      7   22   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     D    82_A     D    82_A     21   74   78      6   22   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     G    83_A     G    83_A     21   74   78      7   19   40   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     I    84_A     I    84_A     21   74   78      7   22   50   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     E    85_A     E    85_A     20   74   78      7   25   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     E    86_A     E    86_A     19   74   78      7   22   50   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     D    87_A     D    87_A     19   74   78      6   16   28   52   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     G    88_A     G    88_A     19   74   78      5   18   30   52   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     F    89_A     F    89_A     19   74   78      3    3   19   47   68   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     G    90_A     G    90_A     19   74   78      4   10   30   47   68   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     K    91_A     K    91_A     19   74   78      7   20   43   64   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     F    92_A     F    92_A     19   74   78     13   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     K    93_A     K    93_A     19   74   78     14   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     L    94_A     L    94_A     19   74   78     14   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     R    95_A     R    95_A     19   74   78     14   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     V    96_A     V    96_A     19   74   78      7   33   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     M    97_A     M    97_A      7   74   78      8   30   53   67   69   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_GDT     S    98_A     S    98_A      7   74   78      0    3   22   39   62   73   73   73   73   74   74   74   74   75   75   75   75   75   75   75 
LCS_AVERAGE  LCS_A:  73.96  (  31.54   90.34  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     14     33     53     67     69     73     73     73     73     74     74     74     74     75     75     75     75     75     75     75 
GDT PERCENT_AT  17.95  42.31  67.95  85.90  88.46  93.59  93.59  93.59  93.59  94.87  94.87  94.87  94.87  96.15  96.15  96.15  96.15  96.15  96.15  96.15
GDT RMS_LOCAL    0.38   0.75   1.06   1.30   1.41   1.53   1.53   1.53   1.53   1.72   1.72   1.72   1.72   2.18   2.18   2.18   2.18   2.18   2.18   2.18
GDT RMS_ALL_AT   4.81   4.71   4.67   4.68   4.70   4.73   4.73   4.73   4.73   4.67   4.67   4.67   4.67   4.57   4.57   4.57   4.57   4.57   4.57   4.57

# Checking swapping
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  D    26_A      D    26_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  D    71_A      D    71_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    25.499     0    0.564   1.305    27.469    0.000    0.000
LGA    Q    22_A      Q    22_A    19.576     4    0.231   0.299    21.631    0.000    0.000
LGA    G    23_A      G    23_A    18.453     0    0.589   0.589    18.453    0.000    0.000
LGA    Q    24_A      Q    24_A    12.251     0    0.215   1.406    14.524    0.000    0.000
LGA    Q    25_A      Q    25_A     7.083     0    0.559   0.953    11.417   18.095    9.577
LGA    D    26_A      D    26_A     0.913     0    0.567   1.212     5.501   79.881   58.155
LGA    K    27_A      K    27_A     1.563     0    0.122   1.115     5.933   71.071   58.942
LGA    L    28_A      L    28_A     1.632     0    0.140   1.240     3.498   81.548   68.512
LGA    V    29_A      V    29_A     1.154     0    0.084   1.122     2.506   85.952   76.939
LGA    L    30_A      L    30_A     0.825     0    0.049   0.730     2.263   88.214   83.929
LGA    R    31_A      R    31_A     0.645     0    0.047   1.082     3.602   90.476   79.827
LGA    V    32_A      V    32_A     0.635     0    0.043   0.051     0.839   90.476   90.476
LGA    D    33_A      D    33_A     0.976     0    0.042   1.289     5.477   90.476   71.190
LGA    G    34_A      G    34_A     0.906     0    0.045   0.045     0.946   90.476   90.476
LGA    I    35_A      I    35_A     1.160     0    0.076   1.283     3.288   83.690   78.631
LGA    L    36_A      L    36_A     0.961     0    0.109   0.827     4.035   83.690   70.536
LGA    N    37_A      N    37_A     1.433     0    0.028   1.118     2.808   81.429   75.238
LGA    E    38_A      E    38_A     1.293     0    0.040   0.916     3.046   81.429   74.286
LGA    L    39_A      L    39_A     1.480     0    0.049   0.119     1.643   77.143   77.143
LGA    D    40_A      D    40_A     1.677     0    0.034   0.063     1.949   72.857   72.857
LGA    A    41_A      A    41_A     1.488     0    0.033   0.042     1.538   77.143   78.000
LGA    Q    42_A      Q    42_A     1.499     0    0.065   1.035     5.258   77.143   62.169
LGA    V    43_A      V    43_A     1.608     0    0.023   1.014     3.561   77.143   71.088
LGA    L    44_A      L    44_A     1.216     0    0.038   1.191     3.275   81.429   76.429
LGA    E    45_A      E    45_A     1.604     0    0.102   0.775     3.992   72.976   63.651
LGA    G    46_A      G    46_A     1.963     0    0.031   0.031     1.963   72.857   72.857
LGA    I    47_A      I    47_A     0.998     0    0.035   1.224     2.489   83.690   77.440
LGA    L    48_A      L    48_A     1.772     0    0.043   0.136     2.809   72.857   67.857
LGA    T    49_A      T    49_A     2.022     0    0.061   1.098     3.989   68.810   65.170
LGA    R    50_A      R    50_A     1.210     0    0.158   0.818     3.683   75.119   68.485
LGA    L    51_A      L    51_A     1.867     0    0.080   1.006     3.059   77.143   70.119
LGA    N    52_A      N    52_A     2.323     0    0.051   0.459     3.892   64.762   58.333
LGA    G    53_A      G    53_A     1.794     0    0.043   0.043     2.009   75.119   75.119
LGA    V    54_A      V    54_A     0.964     0    0.046   0.111     1.316   88.214   87.891
LGA    R    55_A      R    55_A     0.716     0    0.047   1.587     9.903   95.238   57.056
LGA    Q    56_A      Q    56_A     0.325     0    0.042   1.059     3.983   97.619   78.148
LGA    F    57_A      F    57_A     1.406     0    0.099   1.086     4.638   83.690   68.528
LGA    R    58_A      R    58_A     1.169     0    0.073   1.719     9.285   83.690   56.537
LGA    L    59_A      L    59_A     1.295     0    0.027   0.180     1.419   81.429   81.429
LGA    D    60_A      D    60_A     0.981     0    0.023   1.193     4.885   88.214   70.714
LGA    R    61_A      R    61_A     0.844     0    0.134   1.602     6.154   86.071   63.506
LGA    I    62_A      I    62_A     1.252     0    0.038   1.062     3.896   81.548   68.690
LGA    S    63_A      S    63_A     1.593     0    0.112   0.585     2.073   83.810   78.810
LGA    G    64_A      G    64_A     0.728     0    0.107   0.107     1.415   90.595   90.595
LGA    E    65_A      E    65_A     1.259     0    0.130   0.682     3.561   83.690   69.206
LGA    L    66_A      L    66_A     0.968     0    0.036   1.153     2.882   85.952   79.702
LGA    E    67_A      E    67_A     0.759     0    0.040   0.864     3.267   90.476   74.921
LGA    V    68_A      V    68_A     0.607     0    0.046   0.119     1.224   90.476   89.184
LGA    V    69_A      V    69_A     0.375     0    0.023   0.998     2.107   97.619   88.367
LGA    F    70_A      F    70_A     0.459     0    0.055   0.194     0.895   95.238   93.074
LGA    D    71_A      D    71_A     1.082     0    0.054   0.905     3.132   88.214   80.893
LGA    P    72_A      P    72_A     1.224     0    0.076   0.095     1.385   81.429   84.014
LGA    E    73_A      E    73_A     1.415     0    0.212   0.983     4.226   77.262   67.725
LGA    V    74_A      V    74_A     0.913     0    0.061   0.101     0.964   90.476   90.476
LGA    V    75_A      V    75_A     0.786     0    0.079   1.165     3.411   95.238   83.605
LGA    S    76_A      S    76_A     1.215     0    0.063   0.065     1.934   81.429   78.571
LGA    S    77_A      S    77_A     1.564     0    0.071   0.617     2.327   72.857   71.508
LGA    R    78_A      R    78_A     2.249     0    0.076   1.767     8.995   64.762   49.091
LGA    S    79_A      S    79_A     2.248     0    0.079   0.091     2.821   64.762   62.222
LGA    L    80_A      L    80_A     1.895     0    0.032   1.003     2.300   72.857   77.440
LGA    V    81_A      V    81_A     1.384     0    0.020   1.203     4.043   81.429   73.878
LGA    D    82_A      D    82_A     1.713     0    0.068   0.880     5.210   72.857   56.369
LGA    G    83_A      G    83_A     2.203     0    0.032   0.032     2.203   68.810   68.810
LGA    I    84_A      I    84_A     1.617     0    0.035   1.214     3.218   75.000   70.357
LGA    E    85_A      E    85_A     1.005     0    0.040   0.241     1.777   81.429   82.487
LGA    E    86_A      E    86_A     1.692     0    0.034   0.193     3.447   70.952   64.180
LGA    D    87_A      D    87_A     3.164     0    0.163   0.883     7.917   50.119   35.179
LGA    G    88_A      G    88_A     3.034     0    0.150   0.150     3.034   55.357   55.357
LGA    F    89_A      F    89_A     2.865     0    0.651   1.067     9.270   52.143   29.134
LGA    G    90_A      G    90_A     3.069     0    0.213   0.213     3.195   57.381   57.381
LGA    K    91_A      K    91_A     1.931     0    0.119   1.055     3.000   72.976   69.471
LGA    F    92_A      F    92_A     1.161     0    0.146   0.580     2.324   81.429   77.619
LGA    K    93_A      K    93_A     1.328     0    0.037   1.122     6.743   83.690   63.492
LGA    L    94_A      L    94_A     0.311     0    0.047   1.299     4.084   90.595   78.452
LGA    R    95_A      R    95_A     0.857     0    0.078   1.414     9.257   90.476   58.225
LGA    V    96_A      V    96_A     0.716     0    0.028   0.088     1.726   90.476   86.667
LGA    M    97_A      M    97_A     1.358     0    0.592   1.178     2.400   77.262   77.202
LGA    S    98_A      S    98_A     2.918     1    0.608   0.564     5.725   41.786   33.095

# 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):     4.348          4.338                  4.635           74.745   66.958

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     73    1.53    79.487    86.366     4.486

LGA_LOCAL      RMSD:   1.527  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.729  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   4.348  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.734600 * X  +  -0.077171 * Y  +   0.674098 * Z  +  21.894215
  Y_new =   0.438710 * X  +  -0.703867 * Y  +  -0.558664 * Z  + -11.537798
  Z_new =   0.517588 * X  +   0.706128 * Y  +  -0.483204 * Z  +  -8.629595 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.538365 -0.544030  2.170908   [DEG:   30.8460  -31.1706  124.3839 ]
ZXZ:  0.878764  2.075107  0.632529   [DEG:   50.3495  118.8949   36.2412 ]
 
# END of job
