
#######################################################
#                                                     #
#                        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  103 (  821),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  633),  selected   79 , 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:    79      23_A - 101_A       1.41     1.41
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      23_A - 101_A       1.41     1.41
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      23_A - 100_A       0.92     1.44
  LCS_AVERAGE:     97.55

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   79
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     G    23_A     G    23_A     78   79   79      3    4   73   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     G    24_A     G    24_A     78   79   79      3    4   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     S    25_A     S    25_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     M    26_A     M    26_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     K    27_A     K    27_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     I    28_A     I    28_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     Y    29_A     Y    29_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     V    30_A     V    30_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     K    31_A     K    31_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     L    32_A     L    32_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     Q    33_A     Q    33_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     D    34_A     D    34_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     G    35_A     G    35_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     T    36_A     T    36_A     78   79   79     38   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     V    37_A     V    37_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     I    38_A     I    38_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     E    39_A     E    39_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     L    40_A     L    40_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     E    41_A     E    41_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     V    42_A     V    42_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     E    43_A     E    43_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     P    44_A     P    44_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     S    45_A     S    45_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     D    46_A     D    46_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     T    47_A     T    47_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     I    48_A     I    48_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     L    49_A     L    49_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     V    51_A     V    51_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     K    52_A     K    52_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     E    53_A     E    53_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     K    54_A     K    54_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     I    55_A     I    55_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     Y    56_A     Y    56_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     E    57_A     E    57_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     K    58_A     K    58_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     T    59_A     T    59_A     78   79   79     44   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     G    60_A     G    60_A     78   79   79     67   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     I    61_A     I    61_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     P    62_A     P    62_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     P    63_A     P    63_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     D    65_A     D    65_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     Q    66_A     Q    66_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     I    67_A     I    67_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     L    68_A     L    68_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     I    69_A     I    69_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     Y    70_A     Y    70_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     G    72_A     G    72_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     K    73_A     K    73_A     78   79   79     47   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     V    74_A     V    74_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     L    75_A     L    75_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     E    76_A     E    76_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     D    77_A     D    77_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     S    78_A     S    78_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     K    79_A     K    79_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     T    80_A     T    80_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     L    81_A     L    81_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     A    82_A     A    82_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     D    83_A     D    83_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     Y    84_A     Y    84_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     N    85_A     N    85_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     I    86_A     I    86_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     Q    87_A     Q    87_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     E    88_A     E    88_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     N    89_A     N    89_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     D    90_A     D    90_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     V    91_A     V    91_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     L    92_A     L    92_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     Y    93_A     Y    93_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     L    94_A     L    94_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     V    95_A     V    95_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     R    96_A     R    96_A     78   79   79     68   72   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     R    97_A     R    97_A     78   79   79     19   61   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     L    98_A     L    98_A     78   79   79      4    6   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     K    99_A     K    99_A     78   79   79      4   66   74   76   77   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     S   100_A     S   100_A     78   79   79      4    4   10   16   75   77   78   78   78   78   78   78   79   79   79   79   79   79   79   79 
LCS_GDT     P   101_A     P   101_A      4   79   79      4    4    7    7    9   12   12   19   21   41   61   70   79   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  99.18  (  97.55  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     68     72     74     76     77     77     78     78     78     78     78     78     79     79     79     79     79     79     79     79 
GDT PERCENT_AT  86.08  91.14  93.67  96.20  97.47  97.47  98.73  98.73  98.73  98.73  98.73  98.73 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.33   0.45   0.60   0.65   0.65   0.92   0.92   0.92   0.92   0.92   0.92   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41
GDT RMS_ALL_AT   1.55   1.54   1.50   1.48   1.49   1.49   1.44   1.44   1.44   1.44   1.44   1.44   1.41   1.41   1.41   1.41   1.41   1.41   1.41   1.41

# Checking swapping
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    43_A      E    43_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    70_A      Y    70_A
#   possible swapping detected:  E    76_A      E    76_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    G    23_A      G    23_A     2.287     0    0.386   0.386     3.094   69.524   69.524
LGA    G    24_A      G    24_A     1.968     0    0.475   0.475     1.968   79.286   79.286
LGA    S    25_A      S    25_A     0.334     0    0.018   0.712     2.171   95.238   89.365
LGA    M    26_A      M    26_A     0.558     0    0.024   0.090     0.778   95.238   92.857
LGA    K    27_A      K    27_A     0.359     0    0.022   0.674     3.061  100.000   89.365
LGA    I    28_A      I    28_A     0.135     0    0.046   0.049     0.232  100.000  100.000
LGA    Y    29_A      Y    29_A     0.169     0    0.056   0.203     0.974  100.000   97.619
LGA    V    30_A      V    30_A     0.456     0    0.010   0.092     0.698  100.000   97.279
LGA    K    31_A      K    31_A     0.469     0    0.051   0.423     1.233  100.000   94.762
LGA    L    32_A      L    32_A     0.643     0    0.013   1.012     2.539   90.476   81.964
LGA    Q    33_A      Q    33_A     0.696     0    0.039   1.374     5.359   90.476   67.143
LGA    D    34_A      D    34_A     0.686     0    0.020   0.227     0.833   90.476   90.476
LGA    G    35_A      G    35_A     0.672     0    0.046   0.046     0.867   90.476   90.476
LGA    T    36_A      T    36_A     1.097     0    0.063   1.038     3.062   88.214   79.592
LGA    V    37_A      V    37_A     0.491     0    0.010   0.093     0.690   95.238   94.558
LGA    I    38_A      I    38_A     0.416     0    0.039   0.039     0.603  100.000   95.238
LGA    E    39_A      E    39_A     0.474     0    0.024   0.515     1.630  100.000   91.746
LGA    L    40_A      L    40_A     0.290     0    0.037   0.253     1.032  100.000   95.298
LGA    E    41_A      E    41_A     0.473     0    0.016   0.979     3.106  100.000   80.794
LGA    V    42_A      V    42_A     0.322     0    0.087   0.114     0.851   97.619   98.639
LGA    E    43_A      E    43_A     0.292     0    0.062   1.061     3.895  100.000   82.751
LGA    P    44_A      P    44_A     0.501     0    0.023   0.033     0.616   95.238   93.197
LGA    S    45_A      S    45_A     0.404     0    0.071   0.372     1.683   97.619   92.302
LGA    D    46_A      D    46_A     0.224     0    0.025   0.179     0.858  100.000   98.810
LGA    T    47_A      T    47_A     0.210     0    0.040   0.058     0.566  100.000   98.639
LGA    I    48_A      I    48_A     0.270     0    0.023   0.061     0.335  100.000  100.000
LGA    L    49_A      L    49_A     0.615     0    0.053   0.109     0.707   92.857   91.667
LGA    E    50_A      E    50_A     0.616     0    0.026   0.239     1.199   92.857   90.529
LGA    V    51_A      V    51_A     0.467     0    0.013   0.050     0.544   97.619   97.279
LGA    K    52_A      K    52_A     0.456     0    0.021   0.155     1.043  100.000   94.762
LGA    E    53_A      E    53_A     0.458     0    0.074   0.083     0.952  100.000   95.767
LGA    K    54_A      K    54_A     0.459     0    0.040   0.546     1.579   95.238   89.630
LGA    I    55_A      I    55_A     0.328     0    0.019   0.045     0.524  100.000   98.810
LGA    Y    56_A      Y    56_A     0.335     0    0.025   0.105     0.467  100.000  100.000
LGA    E    57_A      E    57_A     0.496     0    0.022   0.872     2.976  100.000   88.148
LGA    K    58_A      K    58_A     0.398     0    0.020   0.391     1.353   97.619   94.762
LGA    T    59_A      T    59_A     0.512     0    0.036   0.057     0.614   92.857   94.558
LGA    G    60_A      G    60_A     0.503     0    0.040   0.040     0.577   95.238   95.238
LGA    I    61_A      I    61_A     0.246     0    0.011   0.051     0.277  100.000  100.000
LGA    P    62_A      P    62_A     0.414     0    0.019   0.037     0.494  100.000  100.000
LGA    P    63_A      P    63_A     0.538     0    0.015   0.026     0.603   92.857   93.197
LGA    E    64_A      E    64_A     0.417     0    0.031   1.086     4.411  100.000   85.026
LGA    D    65_A      D    65_A     0.401     0    0.053   0.154     0.643  100.000   97.619
LGA    Q    66_A      Q    66_A     0.522     0    0.031   0.058     0.620   95.238   92.593
LGA    I    67_A      I    67_A     0.446     0    0.056   0.075     0.725  100.000   96.429
LGA    L    68_A      L    68_A     0.378     0    0.002   0.064     0.500  100.000  100.000
LGA    I    69_A      I    69_A     0.352     0    0.038   0.063     0.751  100.000   95.238
LGA    Y    70_A      Y    70_A     0.244     0    0.040   0.139     0.767  100.000   99.206
LGA    K    71_A      K    71_A     0.291     0    0.039   0.187     1.047  100.000   97.937
LGA    G    72_A      G    72_A     0.576     0    0.088   0.088     0.851   92.857   92.857
LGA    K    73_A      K    73_A     0.708     0    0.031   0.616     1.932   95.238   84.762
LGA    V    74_A      V    74_A     0.430     0    0.015   0.083     0.569  100.000   98.639
LGA    L    75_A      L    75_A     0.470     0    0.025   0.045     0.477  100.000  100.000
LGA    E    76_A      E    76_A     0.451     0    0.012   0.228     0.674  100.000   97.884
LGA    D    77_A      D    77_A     0.482     0    0.036   0.131     0.660   95.238   97.619
LGA    S    78_A      S    78_A     0.302     0    0.054   0.058     0.501   97.619   98.413
LGA    K    79_A      K    79_A     0.148     0    0.039   0.701     3.176  100.000   88.307
LGA    T    80_A      T    80_A     0.050     0    0.014   0.046     0.311  100.000  100.000
LGA    L    81_A      L    81_A     0.223     0    0.018   0.077     0.465  100.000  100.000
LGA    A    82_A      A    82_A     0.495     0    0.028   0.030     0.589   95.238   96.190
LGA    D    83_A      D    83_A     0.534     0    0.062   0.234     0.993   90.476   94.048
LGA    Y    84_A      Y    84_A     0.523     0    0.023   0.058     0.632   90.476   96.825
LGA    N    85_A      N    85_A     0.571     0    0.036   0.915     3.817   90.476   77.202
LGA    I    86_A      I    86_A     0.346     0    0.038   0.090     0.724   97.619   98.810
LGA    Q    87_A      Q    87_A     0.567     0    0.014   0.307     0.949   97.619   93.651
LGA    E    88_A      E    88_A     0.330     0    0.013   0.783     2.903  100.000   90.053
LGA    N    89_A      N    89_A     0.196     0    0.023   0.193     0.469  100.000  100.000
LGA    D    90_A      D    90_A     0.266     0    0.024   0.212     1.292  100.000   95.298
LGA    V    91_A      V    91_A     0.310     0    0.046   0.062     0.457  100.000  100.000
LGA    L    92_A      L    92_A     0.376     0    0.071   0.100     0.615   97.619   98.810
LGA    Y    93_A      Y    93_A     0.245     0    0.033   0.107     1.026  100.000   95.278
LGA    L    94_A      L    94_A     0.491     0    0.045   0.042     0.673   97.619   95.238
LGA    V    95_A      V    95_A     0.424     0    0.029   0.060     0.501  100.000   98.639
LGA    R    96_A      R    96_A     0.423     0    0.037   0.459     2.683   95.238   82.814
LGA    R    97_A      R    97_A     1.184     0    0.068   1.185     4.757   83.690   70.390
LGA    L    98_A      L    98_A     2.558     0    0.070   0.205     6.242   64.881   47.202
LGA    K    99_A      K    99_A     1.792     0    0.055   0.706    10.021   53.810   37.778
LGA    S   100_A      S   100_A     5.590     0    0.044   0.572     6.587   23.810   24.603
LGA    P   101_A      P   101_A     9.878     0    0.187   0.238    11.590    1.310    0.816

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     633    633  100.00                79
SUMMARY(RMSD_GDC):     1.413          1.409                  1.695           93.523   89.648

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  103   79    4.0     78    0.92    96.519    97.890     7.633

LGA_LOCAL      RMSD:   0.922  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.440  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   1.413  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.074375 * X  +  -0.996845 * Y  +   0.027727 * Z  +  14.802516
  Y_new =  -0.947764 * X  +   0.079307 * Y  +   0.308957 * Z  +  21.859388
  Z_new =  -0.310181 * X  +  -0.003300 * Y  +  -0.950672 * Z  +  18.308208 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.649110  0.315384 -3.138122   [DEG:  -94.4871   18.0702 -179.8011 ]
ZXZ:  3.052090  2.826190 -1.581433   [DEG:  174.8719  161.9288  -90.6095 ]
 
# END of job
