
#######################################################
#                                                     #
#                        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        1.71     1.71
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      21_A - 98_A        1.71     1.71
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      24_A - 98_A        0.95     1.81
  LCS_AVERAGE:     92.83

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   78   78      0    3    3    4    4    5   14   16   18   44   72   73   78   78   78   78   78   78   78   78 
LCS_GDT     Q    22_A     Q    22_A      5   78   78      3    4   11   21   37   65   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     G    23_A     G    23_A     15   78   78      3    8   26   54   73   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     Q    24_A     Q    24_A     75   78   78      7   30   65   73   73   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     Q    25_A     Q    25_A     75   78   78     10   59   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     D    26_A     D    26_A     75   78   78     25   59   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     K    27_A     K    27_A     75   78   78      9   58   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     L    28_A     L    28_A     75   78   78     18   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     V    29_A     V    29_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     L    30_A     L    30_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     R    31_A     R    31_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     V    32_A     V    32_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     D    33_A     D    33_A     75   78   78     25   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     G    34_A     G    34_A     75   78   78     26   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     I    35_A     I    35_A     75   78   78     25   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     L    36_A     L    36_A     75   78   78     16   55   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     N    37_A     N    37_A     75   78   78     24   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     E    38_A     E    38_A     75   78   78     23   55   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     L    39_A     L    39_A     75   78   78     24   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     D    40_A     D    40_A     75   78   78     23   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     A    41_A     A    41_A     75   78   78     24   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     Q    42_A     Q    42_A     75   78   78     29   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     V    43_A     V    43_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     L    44_A     L    44_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     E    45_A     E    45_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     G    46_A     G    46_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     I    47_A     I    47_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     L    48_A     L    48_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     T    49_A     T    49_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     R    50_A     R    50_A     75   78   78     24   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     L    51_A     L    51_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     N    52_A     N    52_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     G    53_A     G    53_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     V    54_A     V    54_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     R    55_A     R    55_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     Q    56_A     Q    56_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     F    57_A     F    57_A     75   78   78     20   59   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     R    58_A     R    58_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     L    59_A     L    59_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     D    60_A     D    60_A     75   78   78      5   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     R    61_A     R    61_A     75   78   78      5   21   61   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     I    62_A     I    62_A     75   78   78      4    7   21   63   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     S    63_A     S    63_A     75   78   78      4   33   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     G    64_A     G    64_A     75   78   78      8   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     E    65_A     E    65_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     L    66_A     L    66_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     E    67_A     E    67_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     V    68_A     V    68_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     V    69_A     V    69_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     F    70_A     F    70_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     D    71_A     D    71_A     75   78   78     13   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     P    72_A     P    72_A     75   78   78     13   59   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     E    73_A     E    73_A     75   78   78     14   43   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     V    74_A     V    74_A     75   78   78     16   59   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     V    75_A     V    75_A     75   78   78     28   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     S    76_A     S    76_A     75   78   78     20   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     S    77_A     S    77_A     75   78   78     14   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     R    78_A     R    78_A     75   78   78     14   59   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     S    79_A     S    79_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     L    80_A     L    80_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     V    81_A     V    81_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     D    82_A     D    82_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     G    83_A     G    83_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     I    84_A     I    84_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     E    85_A     E    85_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     E    86_A     E    86_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     D    87_A     D    87_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     G    88_A     G    88_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     F    89_A     F    89_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     G    90_A     G    90_A     75   78   78     24   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     K    91_A     K    91_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     F    92_A     F    92_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     K    93_A     K    93_A     75   78   78     36   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     L    94_A     L    94_A     75   78   78     14   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     R    95_A     R    95_A     75   78   78     14   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     V    96_A     V    96_A     75   78   78     14   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     M    97_A     M    97_A     75   78   78     24   60   70   73   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_GDT     S    98_A     S    98_A     75   78   78      0   17   61   72   74   75   76   77   77   77   77   77   78   78   78   78   78   78   78   78 
LCS_AVERAGE  LCS_A:  97.61  (  92.83  100.00  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     36     60     70     73     74     75     76     77     77     77     77     77     78     78     78     78     78     78     78     78 
GDT PERCENT_AT  46.15  76.92  89.74  93.59  94.87  96.15  97.44  98.72  98.72  98.72  98.72  98.72 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.60   0.73   0.85   0.88   0.95   1.10   1.32   1.32   1.32   1.32   1.32   1.71   1.71   1.71   1.71   1.71   1.71   1.71   1.71
GDT RMS_ALL_AT   1.87   1.86   1.82   1.80   1.84   1.81   1.76   1.73   1.73   1.73   1.73   1.73   1.71   1.71   1.71   1.71   1.71   1.71   1.71   1.71

# Checking swapping
#   possible swapping detected:  D    26_A      D    26_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  D    87_A      D    87_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F    21_A      F    21_A     9.887     0    0.265   1.114    12.712    0.952    0.649
LGA    Q    22_A      Q    22_A     6.255     4    0.372   0.417     6.827   22.024   12.169
LGA    G    23_A      G    23_A     4.412     0    0.117   0.117     5.057   39.167   39.167
LGA    Q    24_A      Q    24_A     2.353     0    0.286   0.850     4.829   69.405   58.942
LGA    Q    25_A      Q    25_A     0.787     0    0.076   0.964     3.458   85.952   77.143
LGA    D    26_A      D    26_A     0.618     0    0.109   0.624     2.051   90.476   87.262
LGA    K    27_A      K    27_A     1.105     0    0.120   0.419     1.727   79.286   79.524
LGA    L    28_A      L    28_A     0.690     0    0.032   0.161     0.983   90.476   90.476
LGA    V    29_A      V    29_A     0.713     0    0.011   0.053     1.258   90.476   86.599
LGA    L    30_A      L    30_A     0.884     0    0.056   0.128     1.106   88.214   89.345
LGA    R    31_A      R    31_A     0.631     0    0.022   0.885     3.811   90.476   73.203
LGA    V    32_A      V    32_A     0.316     0    0.042   0.093     0.444  100.000  100.000
LGA    D    33_A      D    33_A     0.524     0    0.118   0.892     2.963   95.238   84.286
LGA    G    34_A      G    34_A     0.778     0    0.029   0.029     0.964   90.476   90.476
LGA    I    35_A      I    35_A     0.888     0    0.029   0.040     1.275   85.952   88.214
LGA    L    36_A      L    36_A     1.630     0    0.089   0.980     3.003   72.976   68.036
LGA    N    37_A      N    37_A     1.291     0    0.055   1.189     4.824   81.429   69.107
LGA    E    38_A      E    38_A     1.339     0    0.043   1.034     4.135   83.690   66.296
LGA    L    39_A      L    39_A     0.716     0    0.019   1.038     3.805   92.857   81.369
LGA    D    40_A      D    40_A     0.750     0    0.029   0.357     1.723   90.476   86.012
LGA    A    41_A      A    41_A     0.822     0    0.032   0.041     0.898   90.476   90.476
LGA    Q    42_A      Q    42_A     0.428     0    0.016   0.688     2.141   97.619   92.963
LGA    V    43_A      V    43_A     0.141     0    0.053   0.075     0.291  100.000  100.000
LGA    L    44_A      L    44_A     0.421     0    0.020   0.113     0.559   95.238   97.619
LGA    E    45_A      E    45_A     0.702     0    0.034   0.285     1.445   90.476   90.529
LGA    G    46_A      G    46_A     0.589     0    0.013   0.013     0.901   90.476   90.476
LGA    I    47_A      I    47_A     0.649     0    0.056   0.094     0.875   90.476   92.857
LGA    L    48_A      L    48_A     0.853     0    0.013   0.079     1.014   88.214   89.345
LGA    T    49_A      T    49_A     1.198     0    0.011   0.076     1.495   81.429   81.429
LGA    R    50_A      R    50_A     1.343     0    0.085   1.292     5.098   81.429   67.619
LGA    L    51_A      L    51_A     0.885     0    0.054   1.286     2.862   88.214   80.833
LGA    N    52_A      N    52_A     0.724     0    0.016   0.081     0.932   90.476   91.667
LGA    G    53_A      G    53_A     0.724     0    0.020   0.020     0.727   90.476   90.476
LGA    V    54_A      V    54_A     0.704     0    0.020   0.055     0.850   90.476   90.476
LGA    R    55_A      R    55_A     0.851     0    0.014   0.634     2.973   88.214   85.065
LGA    Q    56_A      Q    56_A     1.087     0    0.038   0.706     2.829   81.429   76.825
LGA    F    57_A      F    57_A     1.408     0    0.015   0.116     1.658   81.429   78.312
LGA    R    58_A      R    58_A     1.070     0    0.016   0.945     5.532   85.952   67.100
LGA    L    59_A      L    59_A     0.549     0    0.079   0.116     0.804   95.238   95.238
LGA    D    60_A      D    60_A     1.182     0    0.146   1.156     6.397   83.690   63.155
LGA    R    61_A      R    61_A     1.682     0    0.015   0.915     4.283   69.048   64.762
LGA    I    62_A      I    62_A     3.119     0    0.039   0.081     4.842   55.476   46.369
LGA    S    63_A      S    63_A     1.965     0    0.010   0.096     2.214   75.119   73.016
LGA    G    64_A      G    64_A     0.877     0    0.166   0.166     1.165   85.952   85.952
LGA    E    65_A      E    65_A     0.690     0    0.056   0.493     3.025   92.857   80.159
LGA    L    66_A      L    66_A     0.856     0    0.066   0.109     1.155   88.214   88.214
LGA    E    67_A      E    67_A     0.699     0    0.078   0.247     1.338   90.476   87.460
LGA    V    68_A      V    68_A     0.804     0    0.016   0.078     0.918   90.476   90.476
LGA    V    69_A      V    69_A     0.778     0    0.051   0.083     1.141   90.476   89.184
LGA    F    70_A      F    70_A     0.527     0    0.027   0.160     1.471   95.238   90.606
LGA    D    71_A      D    71_A     0.730     0    0.017   0.980     3.135   90.476   80.000
LGA    P    72_A      P    72_A     1.058     0    0.022   0.031     1.231   83.690   82.721
LGA    E    73_A      E    73_A     1.289     0    0.052   0.448     2.467   81.429   80.582
LGA    V    74_A      V    74_A     1.058     0    0.043   0.057     1.110   83.690   82.721
LGA    V    75_A      V    75_A     0.583     0    0.027   0.056     0.696   90.476   94.558
LGA    S    76_A      S    76_A     0.754     0    0.051   0.710     1.814   90.476   87.540
LGA    S    77_A      S    77_A     0.757     0    0.028   0.062     0.866   90.476   90.476
LGA    R    78_A      R    78_A     1.092     0    0.056   1.153     8.349   88.214   58.788
LGA    S    79_A      S    79_A     0.575     0    0.016   0.074     1.052   95.238   92.143
LGA    L    80_A      L    80_A     0.510     0    0.016   0.482     1.238   90.476   90.536
LGA    V    81_A      V    81_A     0.654     0    0.049   0.072     0.850   90.476   90.476
LGA    D    82_A      D    82_A     0.467     0    0.094   0.836     3.511   95.238   80.774
LGA    G    83_A      G    83_A     0.605     0    0.058   0.058     0.636   90.476   90.476
LGA    I    84_A      I    84_A     0.497     0    0.033   0.117     0.558   97.619   96.429
LGA    E    85_A      E    85_A     0.405     0    0.016   0.505     1.717  100.000   93.862
LGA    E    86_A      E    86_A     0.488     0    0.024   1.118     4.848   92.857   74.974
LGA    D    87_A      D    87_A     0.654     0    0.044   0.789     3.661   92.857   78.393
LGA    G    88_A      G    88_A     0.139     0    0.040   0.040     0.590   97.619   97.619
LGA    F    89_A      F    89_A     0.285     0    0.031   0.059     0.687   97.619   94.805
LGA    G    90_A      G    90_A     0.555     0    0.058   0.058     0.625   92.857   92.857
LGA    K    91_A      K    91_A     0.642     0    0.014   0.722     2.980   90.476   77.407
LGA    F    92_A      F    92_A     0.326     0    0.019   0.067     1.433  100.000   91.472
LGA    K    93_A      K    93_A     0.287     0    0.031   1.029     5.362  100.000   72.804
LGA    L    94_A      L    94_A     0.810     0    0.051   0.828     2.604   85.952   79.583
LGA    R    95_A      R    95_A     0.928     0    0.063   0.977     5.348   90.476   71.385
LGA    V    96_A      V    96_A     1.126     0    0.058   1.042     2.489   81.429   76.667
LGA    M    97_A      M    97_A     1.075     0    0.192   0.830     2.353   85.952   86.190
LGA    S    98_A      S    98_A     2.557     1    0.638   0.588     3.341   59.167   47.778

# 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):     1.709          1.722                  2.195           85.647   80.397

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     77    1.32    92.308    95.963     5.416

LGA_LOCAL      RMSD:   1.322  Number of atoms:   77  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.726  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   1.709  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.562907 * X  +  -0.589146 * Y  +  -0.579692 * Z  +  11.336435
  Y_new =   0.576184 * X  +  -0.782560 * Y  +   0.235823 * Z  + -12.566573
  Z_new =  -0.592578 * X  +  -0.201263 * Y  +   0.779965 * Z  + -10.279111 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.344539  0.634255 -0.252532   [DEG:  134.3322   36.3401  -14.4690 ]
ZXZ: -1.957157  0.676187 -1.898212   [DEG: -112.1368   38.7427 -108.7595 ]
 
# END of job
