
#######################################################
#                                                     #
#                        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        2.79     2.79
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      23_A - 98_A        1.67     2.94
  LCS_AVERAGE:     95.17

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53      26_A - 78_A        1.00     3.10
  LCS_AVERAGE:     62.05

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    7   78      3    3    5    8    8    9   12   13   15   20   21   26   31   38   49   73   78   78   78   78 
LCS_GDT     Q    22_A     Q    22_A      4    7   78      3    5    6    8    8   12   14   27   45   65   75   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    23_A     G    23_A      4   76   78      3    5    6    9   22   37   51   72   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     Q    24_A     Q    24_A      4   76   78      3    6   15   29   44   69   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     Q    25_A     Q    25_A     51   76   78      4   28   62   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    26_A     D    26_A     53   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     K    27_A     K    27_A     53   76   78     10   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    28_A     L    28_A     53   76   78     11   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    29_A     V    29_A     53   76   78     11   44   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    30_A     L    30_A     53   76   78     10   44   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    31_A     R    31_A     53   76   78     10   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    32_A     V    32_A     53   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    33_A     D    33_A     53   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    34_A     G    34_A     53   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     I    35_A     I    35_A     53   76   78     11   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    36_A     L    36_A     53   76   78     15   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     N    37_A     N    37_A     53   76   78     15   43   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    38_A     E    38_A     53   76   78     15   40   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    39_A     L    39_A     53   76   78     15   44   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    40_A     D    40_A     53   76   78     15   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     A    41_A     A    41_A     53   76   78     15   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     Q    42_A     Q    42_A     53   76   78     15   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    43_A     V    43_A     53   76   78     15   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    44_A     L    44_A     53   76   78     15   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    45_A     E    45_A     53   76   78     15   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    46_A     G    46_A     53   76   78     15   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     I    47_A     I    47_A     53   76   78     15   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    48_A     L    48_A     53   76   78     15   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     T    49_A     T    49_A     53   76   78     15   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    50_A     R    50_A     53   76   78     15   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    51_A     L    51_A     53   76   78      9   39   62   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     N    52_A     N    52_A     53   76   78      3   22   55   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    53_A     G    53_A     53   76   78     11   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    54_A     V    54_A     53   76   78     11   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    55_A     R    55_A     53   76   78     11   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     Q    56_A     Q    56_A     53   76   78     11   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     F    57_A     F    57_A     53   76   78     11   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    58_A     R    58_A     53   76   78      7   31   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    59_A     L    59_A     53   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    60_A     D    60_A     53   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    61_A     R    61_A     53   76   78      6   41   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     I    62_A     I    62_A     53   76   78      6    7   10   72   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     S    63_A     S    63_A     53   76   78      6   15   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    64_A     G    64_A     53   76   78      6   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    65_A     E    65_A     53   76   78      9   42   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    66_A     L    66_A     53   76   78     11   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    67_A     E    67_A     53   76   78     11   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    68_A     V    68_A     53   76   78     11   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    69_A     V    69_A     53   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     F    70_A     F    70_A     53   76   78     11   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    71_A     D    71_A     53   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     P    72_A     P    72_A     53   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    73_A     E    73_A     53   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    74_A     V    74_A     53   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    75_A     V    75_A     53   76   78     11   43   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     S    76_A     S    76_A     53   76   78      9   41   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     S    77_A     S    77_A     53   76   78     12   41   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    78_A     R    78_A     53   76   78     12   41   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     S    79_A     S    79_A     45   76   78     12   21   64   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    80_A     L    80_A     45   76   78     12   14   63   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    81_A     V    81_A     45   76   78     12   41   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    82_A     D    82_A     45   76   78     12   41   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    83_A     G    83_A     45   76   78     12   41   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     I    84_A     I    84_A     45   76   78     12   31   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    85_A     E    85_A     45   76   78     12   31   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     E    86_A     E    86_A     45   76   78     12   41   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     D    87_A     D    87_A     45   76   78     12   31   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    88_A     G    88_A     45   76   78     12   41   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     F    89_A     F    89_A     45   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     G    90_A     G    90_A     45   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     K    91_A     K    91_A     45   76   78     10   43   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     F    92_A     F    92_A     45   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     K    93_A     K    93_A     45   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     L    94_A     L    94_A     45   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     R    95_A     R    95_A     45   76   78     13   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     V    96_A     V    96_A     45   76   78     10   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     M    97_A     M    97_A     45   76   78     10   45   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_GDT     S    98_A     S    98_A     45   76   78     10   23   68   73   74   74   75   75   76   76   76   77   77   77   77   77   78   78   78   78 
LCS_AVERAGE  LCS_A:  85.74  (  62.05   95.17  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     15     45     68     73     74     74     75     75     76     76     76     77     77     77     77     77     78     78     78     78 
GDT PERCENT_AT  19.23  57.69  87.18  93.59  94.87  94.87  96.15  96.15  97.44  97.44  97.44  98.72  98.72  98.72  98.72  98.72 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.22   0.72   1.00   1.09   1.12   1.12   1.33   1.33   1.67   1.67   1.67   2.17   2.17   2.17   2.17   2.17   2.79   2.79   2.79   2.79
GDT RMS_ALL_AT   3.42   3.12   3.17   3.11   3.12   3.12   3.04   3.04   2.94   2.94   2.94   2.84   2.84   2.84   2.84   2.84   2.79   2.79   2.79   2.79

# Checking swapping
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  F    70_A      F    70_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    18.012     0    0.693   1.079    20.231    0.000    0.000
LGA    Q    22_A      Q    22_A    13.273     4    0.013   0.021    14.967    0.000    0.000
LGA    G    23_A      G    23_A     9.278     0    0.241   0.241    10.605    4.643    4.643
LGA    Q    24_A      Q    24_A     6.185     0    0.356   1.155    10.835   21.190   11.481
LGA    Q    25_A      Q    25_A     2.001     0    0.173   0.934     4.213   67.262   66.561
LGA    D    26_A      D    26_A     0.519     0    0.258   0.386     2.614   95.238   82.143
LGA    K    27_A      K    27_A     0.568     0    0.069   0.622     2.001   92.857   86.720
LGA    L    28_A      L    28_A     0.699     0    0.056   0.757     2.012   90.476   86.131
LGA    V    29_A      V    29_A     1.007     0    0.037   0.089     1.863   88.214   82.857
LGA    L    30_A      L    30_A     1.105     0    0.087   1.386     3.315   79.286   71.310
LGA    R    31_A      R    31_A     0.672     0    0.053   0.570     3.077   90.476   78.182
LGA    V    32_A      V    32_A     0.690     0    0.090   0.136     1.260   90.476   87.891
LGA    D    33_A      D    33_A     0.487     0    0.040   0.744     3.226   97.619   82.798
LGA    G    34_A      G    34_A     0.450     0    0.019   0.019     0.502   97.619   97.619
LGA    I    35_A      I    35_A     0.649     0    0.040   0.091     1.218   90.476   89.345
LGA    L    36_A      L    36_A     0.735     0    0.018   0.050     1.164   88.214   89.345
LGA    N    37_A      N    37_A     1.225     0    0.055   0.068     1.242   81.429   81.429
LGA    E    38_A      E    38_A     1.312     0    0.029   0.887     2.968   81.429   74.127
LGA    L    39_A      L    39_A     1.116     0    0.020   0.889     3.060   81.429   75.417
LGA    D    40_A      D    40_A     0.915     0    0.022   0.067     1.007   90.476   89.345
LGA    A    41_A      A    41_A     0.912     0    0.026   0.027     0.964   90.476   90.476
LGA    Q    42_A      Q    42_A     1.035     0    0.018   0.117     1.307   81.429   81.429
LGA    V    43_A      V    43_A     1.235     0    0.020   0.030     1.420   81.429   81.429
LGA    L    44_A      L    44_A     1.107     0    0.023   1.378     2.838   81.429   74.286
LGA    E    45_A      E    45_A     1.021     0    0.044   0.307     1.662   83.690   83.492
LGA    G    46_A      G    46_A     1.152     0    0.014   0.014     1.214   81.429   81.429
LGA    I    47_A      I    47_A     1.075     0    0.014   0.042     1.162   81.429   85.952
LGA    L    48_A      L    48_A     1.177     0    0.007   0.073     1.754   81.429   80.357
LGA    T    49_A      T    49_A     1.029     0    0.084   0.074     1.383   81.429   81.429
LGA    R    50_A      R    50_A     1.121     0    0.014   1.144     7.972   81.429   48.139
LGA    L    51_A      L    51_A     1.569     0    0.019   1.317     3.273   79.286   74.405
LGA    N    52_A      N    52_A     1.994     0    0.659   0.747     4.792   58.571   61.726
LGA    G    53_A      G    53_A     0.858     0    0.081   0.081     0.858   90.476   90.476
LGA    V    54_A      V    54_A     0.820     0    0.022   0.046     0.918   90.476   90.476
LGA    R    55_A      R    55_A     0.643     0    0.016   0.467     2.336   90.476   88.225
LGA    Q    56_A      Q    56_A     0.503     0    0.052   0.962     3.258   92.857   84.180
LGA    F    57_A      F    57_A     0.712     0    0.044   0.157     2.124   85.952   81.645
LGA    R    58_A      R    58_A     1.551     0    0.112   0.956     6.185   79.286   60.043
LGA    L    59_A      L    59_A     0.851     0    0.058   0.868     2.515   88.214   82.976
LGA    D    60_A      D    60_A     0.714     0    0.084   0.438     3.062   90.476   79.881
LGA    R    61_A      R    61_A     1.359     0    0.105   1.076     5.589   77.381   64.545
LGA    I    62_A      I    62_A     2.250     0    0.018   0.646     3.046   66.786   64.107
LGA    S    63_A      S    63_A     1.672     0    0.033   0.645     2.220   77.143   74.365
LGA    G    64_A      G    64_A     0.816     0    0.154   0.154     1.219   88.214   88.214
LGA    E    65_A      E    65_A     1.152     0    0.037   0.134     3.235   88.214   71.958
LGA    L    66_A      L    66_A     1.048     0    0.030   0.969     3.666   85.952   75.774
LGA    E    67_A      E    67_A     1.006     0    0.055   0.640     2.494   85.952   76.032
LGA    V    68_A      V    68_A     0.616     0    0.057   1.151     2.741   95.238   85.918
LGA    V    69_A      V    69_A     0.222     0    0.022   0.046     0.430  100.000  100.000
LGA    F    70_A      F    70_A     0.522     0    0.067   0.148     1.324   97.619   90.606
LGA    D    71_A      D    71_A     0.257     0    0.017   0.934     3.326  100.000   85.952
LGA    P    72_A      P    72_A     0.505     0    0.019   0.042     0.738   92.857   91.837
LGA    E    73_A      E    73_A     0.691     0    0.020   0.361     0.994   90.476   90.476
LGA    V    74_A      V    74_A     0.358     0    0.060   0.066     0.488  100.000  100.000
LGA    V    75_A      V    75_A     0.930     0    0.100   1.141     3.052   92.857   82.381
LGA    S    76_A      S    76_A     1.396     0    0.020   0.050     1.530   79.286   78.571
LGA    S    77_A      S    77_A     1.030     0    0.021   0.066     1.245   81.429   82.937
LGA    R    78_A      R    78_A     1.499     0    0.061   1.279     7.700   77.143   53.160
LGA    S    79_A      S    79_A     1.753     0    0.031   0.051     2.251   72.857   70.159
LGA    L    80_A      L    80_A     1.763     0    0.028   0.897     1.879   72.857   78.452
LGA    V    81_A      V    81_A     1.264     0    0.027   0.078     1.390   81.429   81.429
LGA    D    82_A      D    82_A     1.232     0    0.042   0.171     2.099   81.429   78.274
LGA    G    83_A      G    83_A     1.546     0    0.054   0.054     1.546   77.143   77.143
LGA    I    84_A      I    84_A     1.629     0    0.030   0.108     2.177   75.000   70.893
LGA    E    85_A      E    85_A     1.429     0    0.042   0.117     2.251   81.429   73.968
LGA    E    86_A      E    86_A     1.145     0    0.046   0.753     2.478   81.429   80.582
LGA    D    87_A      D    87_A     1.767     0    0.012   0.318     2.597   72.857   69.881
LGA    G    88_A      G    88_A     1.470     0    0.059   0.059     1.538   79.286   79.286
LGA    F    89_A      F    89_A     0.978     0    0.019   0.270     2.571   83.690   78.571
LGA    G    90_A      G    90_A     0.960     0    0.035   0.035     1.416   85.952   85.952
LGA    K    91_A      K    91_A     1.416     0    0.061   0.503     1.902   79.286   78.571
LGA    F    92_A      F    92_A     0.883     0    0.028   0.127     1.105   88.214   86.364
LGA    K    93_A      K    93_A     0.767     0    0.049   0.370     1.999   90.476   85.556
LGA    L    94_A      L    94_A     0.524     0    0.055   0.212     2.045   95.238   85.238
LGA    R    95_A      R    95_A     0.536     0    0.037   1.269     8.056   92.857   60.216
LGA    V    96_A      V    96_A     0.776     0    0.020   0.023     1.188   88.214   87.891
LGA    M    97_A      M    97_A     1.015     0    0.059   0.859     3.136   83.690   80.893
LGA    S    98_A      S    98_A     1.731     1    0.630   0.597     2.645   79.405   62.460

# 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):     2.789          2.748                  3.175           81.023   76.005

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     75    1.33    86.538    92.466     5.244

LGA_LOCAL      RMSD:   1.330  Number of atoms:   75  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.037  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   2.789  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.747284 * X  +  -0.383120 * Y  +  -0.542941 * Z  +  11.622487
  Y_new =   0.267196 * X  +   0.921342 * Y  +  -0.282375 * Z  + -47.360825
  Z_new =   0.608418 * X  +   0.065943 * Y  +   0.790872 * Z  + -20.246048 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.343390 -0.654066  0.083187   [DEG:   19.6748  -37.4752    4.7663 ]
ZXZ: -1.091211  0.658563  1.462834   [DEG:  -62.5218   37.7329   83.8142 ]
 
# END of job
