
#######################################################
#                                                     #
#                        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       2.01     2.01
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      23_A - 100_A       1.48     2.04
  LONGEST_CONTINUOUS_SEGMENT:    78      24_A - 101_A       1.96     2.01
  LCS_AVERAGE:     98.73

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      23_A - 98_A        0.93     2.16
  LONGEST_CONTINUOUS_SEGMENT:    76      24_A - 99_A        0.99     2.11
  LCS_AVERAGE:     93.90

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     76   78   79      3    4   14   36   72   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     G    24_A     G    24_A     76   78   79      3    8   50   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     S    25_A     S    25_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     M    26_A     M    26_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     K    27_A     K    27_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     I    28_A     I    28_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     Y    29_A     Y    29_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     V    30_A     V    30_A     76   78   79     43   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     K    31_A     K    31_A     76   78   79     32   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     L    32_A     L    32_A     76   78   79     32   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     Q    33_A     Q    33_A     76   78   79     28   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     D    34_A     D    34_A     76   78   79     31   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     G    35_A     G    35_A     76   78   79     28   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     T    36_A     T    36_A     76   78   79     27   61   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     V    37_A     V    37_A     76   78   79     32   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     I    38_A     I    38_A     76   78   79     32   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     E    39_A     E    39_A     76   78   79     43   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     L    40_A     L    40_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     E    41_A     E    41_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     V    42_A     V    42_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     E    43_A     E    43_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     P    44_A     P    44_A     76   78   79     30   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     S    45_A     S    45_A     76   78   79     30   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     D    46_A     D    46_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     T    47_A     T    47_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     I    48_A     I    48_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     L    49_A     L    49_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     V    51_A     V    51_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     K    52_A     K    52_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     E    53_A     E    53_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     K    54_A     K    54_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     I    55_A     I    55_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     Y    56_A     Y    56_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     E    57_A     E    57_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     K    58_A     K    58_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     T    59_A     T    59_A     76   78   79     38   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     G    60_A     G    60_A     76   78   79     33   66   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     I    61_A     I    61_A     76   78   79     39   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     P    62_A     P    62_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     P    63_A     P    63_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     D    65_A     D    65_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     Q    66_A     Q    66_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     I    67_A     I    67_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     L    68_A     L    68_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     I    69_A     I    69_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     Y    70_A     Y    70_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     G    72_A     G    72_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     K    73_A     K    73_A     76   78   79     39   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     V    74_A     V    74_A     76   78   79     39   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     L    75_A     L    75_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     E    76_A     E    76_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     D    77_A     D    77_A     76   78   79     11   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     S    78_A     S    78_A     76   78   79     11   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     K    79_A     K    79_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     T    80_A     T    80_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     L    81_A     L    81_A     76   78   79     40   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     A    82_A     A    82_A     76   78   79     30   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     D    83_A     D    83_A     76   78   79     38   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     Y    84_A     Y    84_A     76   78   79     30   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     N    85_A     N    85_A     76   78   79     30   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     I    86_A     I    86_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     Q    87_A     Q    87_A     76   78   79     28   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     E    88_A     E    88_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     N    89_A     N    89_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     D    90_A     D    90_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     V    91_A     V    91_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     L    92_A     L    92_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     Y    93_A     Y    93_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     L    94_A     L    94_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     V    95_A     V    95_A     76   78   79     46   68   71   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     R    96_A     R    96_A     76   78   79      3   25   70   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     R    97_A     R    97_A     76   78   79      3    5   46   70   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     L    98_A     L    98_A     76   78   79      3   51   69   73   74   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     K    99_A     K    99_A     76   78   79      3    4   18   46   71   76   76   77   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     S   100_A     S   100_A      4   78   79      3    4    5    7    9   18   25   74   77   78   78   78   78   78   79   79   79   79   79   79 
LCS_GDT     P   101_A     P   101_A      4   78   79      3    4    4    5    9    9   10   11   14   16   18   44   54   74   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  97.54  (  93.90   98.73  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     46     68     71     73     74     76     76     77     77     78     78     78     78     78     79     79     79     79     79     79 
GDT PERCENT_AT  58.23  86.08  89.87  92.41  93.67  96.20  96.20  97.47  97.47  98.73  98.73  98.73  98.73  98.73 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.54   0.58   0.68   0.74   0.99   0.93   1.08   1.08   1.48   1.48   1.48   1.48   1.48   2.01   2.01   2.01   2.01   2.01   2.01
GDT RMS_ALL_AT   2.17   2.22   2.23   2.18   2.18   2.11   2.16   2.11   2.11   2.04   2.04   2.04   2.04   2.04   2.01   2.01   2.01   2.01   2.01   2.01

# Checking swapping
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    84_A      Y    84_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    23_A      G    23_A     3.845     0    0.132   0.132     5.863   37.976   37.976
LGA    G    24_A      G    24_A     2.421     0    0.142   0.142     2.421   70.952   70.952
LGA    S    25_A      S    25_A     0.455     0    0.109   0.703     2.208   95.238   87.857
LGA    M    26_A      M    26_A     0.681     0    0.034   0.102     0.860   90.476   90.476
LGA    K    27_A      K    27_A     0.383     0    0.009   0.620     1.437  100.000   94.815
LGA    I    28_A      I    28_A     0.300     0    0.036   0.065     0.453  100.000  100.000
LGA    Y    29_A      Y    29_A     0.482     0    0.020   0.099     1.007  100.000   94.484
LGA    V    30_A      V    30_A     0.557     0    0.028   0.102     0.671   90.476   90.476
LGA    K    31_A      K    31_A     0.796     0    0.023   0.368     1.329   90.476   88.466
LGA    L    32_A      L    32_A     1.047     0    0.016   0.054     1.398   83.690   82.560
LGA    Q    33_A      Q    33_A     1.325     0    0.023   1.382     6.118   81.429   57.513
LGA    D    34_A      D    34_A     1.277     0    0.044   0.154     1.423   81.429   81.429
LGA    G    35_A      G    35_A     1.326     0    0.036   0.036     1.504   79.286   79.286
LGA    T    36_A      T    36_A     1.703     0    0.084   1.097     3.987   77.143   69.932
LGA    V    37_A      V    37_A     0.906     0    0.035   0.057     1.075   85.952   87.891
LGA    I    38_A      I    38_A     0.987     0    0.098   1.374     3.297   90.476   78.988
LGA    E    39_A      E    39_A     0.548     0    0.056   0.672     2.121   90.476   85.661
LGA    L    40_A      L    40_A     0.446     0    0.012   0.065     0.462  100.000  100.000
LGA    E    41_A      E    41_A     0.526     0    0.030   0.784     2.877   90.476   84.762
LGA    V    42_A      V    42_A     0.482     0    0.070   0.123     1.054   92.976   95.986
LGA    E    43_A      E    43_A     0.658     0    0.043   1.045     3.898   92.857   78.571
LGA    P    44_A      P    44_A     0.969     0    0.068   0.093     1.023   90.476   89.184
LGA    S    45_A      S    45_A     0.862     0    0.003   0.695     3.425   90.476   82.222
LGA    D    46_A      D    46_A     0.361     0    0.057   0.207     1.202   97.619   95.298
LGA    T    47_A      T    47_A     0.212     0    0.024   0.063     0.449  100.000  100.000
LGA    I    48_A      I    48_A     0.227     0    0.023   0.058     0.320  100.000  100.000
LGA    L    49_A      L    49_A     0.342     0    0.029   0.072     0.412  100.000  100.000
LGA    E    50_A      E    50_A     0.347     0    0.008   0.283     1.213  100.000   97.937
LGA    V    51_A      V    51_A     0.300     0    0.039   0.044     0.325  100.000  100.000
LGA    K    52_A      K    52_A     0.281     0    0.022   0.090     0.993  100.000   97.884
LGA    E    53_A      E    53_A     0.341     0    0.014   0.196     1.236  100.000   95.820
LGA    K    54_A      K    54_A     0.338     0    0.009   0.549     1.481  100.000   94.815
LGA    I    55_A      I    55_A     0.502     0    0.031   0.098     0.698   92.857   95.238
LGA    Y    56_A      Y    56_A     0.581     0    0.036   0.099     0.735   90.476   92.063
LGA    E    57_A      E    57_A     0.427     0    0.007   0.945     2.532  100.000   86.190
LGA    K    58_A      K    58_A     0.552     0    0.024   0.511     2.523   92.857   84.868
LGA    T    59_A      T    59_A     0.849     0    0.039   0.066     1.052   88.214   89.184
LGA    G    60_A      G    60_A     0.884     0    0.015   0.015     0.884   90.476   90.476
LGA    I    61_A      I    61_A     0.566     0    0.043   0.112     0.760   95.238   92.857
LGA    P    62_A      P    62_A     0.487     0    0.041   0.059     0.636  100.000   95.918
LGA    P    63_A      P    63_A     0.450     0    0.024   0.045     0.618  100.000   95.918
LGA    E    64_A      E    64_A     0.823     0    0.060   0.902     3.884   90.476   77.513
LGA    D    65_A      D    65_A     0.212     0    0.005   0.140     1.005   97.619   96.488
LGA    Q    66_A      Q    66_A     0.347     0    0.037   0.106     0.444  100.000  100.000
LGA    I    67_A      I    67_A     0.455     0    0.072   0.126     0.461  100.000  100.000
LGA    L    68_A      L    68_A     0.472     0    0.027   0.080     0.530   97.619   95.238
LGA    I    69_A      I    69_A     0.415     0    0.061   0.057     0.734  100.000   97.619
LGA    Y    70_A      Y    70_A     0.162     0    0.018   0.119     0.979  100.000   96.032
LGA    K    71_A      K    71_A     0.349     0    0.061   0.748     4.378   97.619   84.127
LGA    G    72_A      G    72_A     0.542     0    0.129   0.129     1.140   90.595   90.595
LGA    K    73_A      K    73_A     0.434     0    0.033   0.605     2.381  100.000   83.280
LGA    V    74_A      V    74_A     0.441     0    0.021   0.030     0.544   97.619   97.279
LGA    L    75_A      L    75_A     0.391     0    0.040   0.086     0.521   97.619   97.619
LGA    E    76_A      E    76_A     0.513     0    0.051   0.107     1.456   95.238   89.577
LGA    D    77_A      D    77_A     0.822     0    0.638   0.626     3.300   78.095   84.286
LGA    S    78_A      S    78_A     1.193     0    0.020   0.194     1.563   88.333   84.603
LGA    K    79_A      K    79_A     0.559     0    0.063   0.740     4.400   95.238   78.254
LGA    T    80_A      T    80_A     0.386     0    0.041   0.062     0.574   97.619   97.279
LGA    L    81_A      L    81_A     0.640     0    0.013   0.101     0.898   92.857   91.667
LGA    A    82_A      A    82_A     0.839     0    0.026   0.028     0.974   90.476   90.476
LGA    D    83_A      D    83_A     0.860     0    0.106   0.223     1.382   85.952   88.274
LGA    Y    84_A      Y    84_A     0.900     0    0.046   0.153     0.969   90.476   92.063
LGA    N    85_A      N    85_A     1.021     0    0.017   0.881     4.160   85.952   70.357
LGA    I    86_A      I    86_A     0.581     0    0.032   0.076     0.844   90.476   94.048
LGA    Q    87_A      Q    87_A     1.000     0    0.050   1.067     2.421   92.857   82.857
LGA    E    88_A      E    88_A     0.555     0    0.023   0.721     2.703   95.238   86.984
LGA    N    89_A      N    89_A     0.301     0    0.015   0.038     0.553  100.000   98.810
LGA    D    90_A      D    90_A     0.260     0    0.021   0.075     0.829  100.000   96.429
LGA    V    91_A      V    91_A     0.397     0    0.018   0.027     0.785  100.000   95.918
LGA    L    92_A      L    92_A     0.455     0    0.066   0.090     0.750   95.238   97.619
LGA    Y    93_A      Y    93_A     0.357     0    0.051   0.133     1.084  100.000   94.484
LGA    L    94_A      L    94_A     0.425     0    0.036   0.097     1.034   97.619   92.917
LGA    V    95_A      V    95_A     0.263     0    0.136   1.154     3.048  100.000   88.980
LGA    R    96_A      R    96_A     1.672     0    0.051   0.668     3.332   77.143   69.437
LGA    R    97_A      R    97_A     2.854     0    0.635   1.091     6.042   48.333   43.030
LGA    L    98_A      L    98_A     1.858     0    0.365   0.486     3.686   68.810   62.202
LGA    K    99_A      K    99_A     4.776     0    0.070   1.159     7.777   24.524   21.111
LGA    S   100_A      S   100_A     9.412     0    0.080   0.683    11.042    2.143    1.429
LGA    P   101_A      P   101_A    13.158     0    0.082   0.119    14.550    0.000    0.000

# 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):     2.007          2.083                  2.200           88.763   85.099

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  103   79    4.0     77    1.08    93.987    95.953     6.529

LGA_LOCAL      RMSD:   1.079  Number of atoms:   77  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.109  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   2.007  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.836347 * X  +  -0.503382 * Y  +  -0.217097 * Z  +  19.868271
  Y_new =  -0.281913 * X  +   0.055289 * Y  +   0.957845 * Z  +  32.963764
  Z_new =  -0.470159 * X  +   0.862293 * Y  +  -0.188151 * Z  +  56.567673 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.816476  0.489470  1.785628   [DEG: -161.3722   28.0446  102.3089 ]
ZXZ: -2.918707  1.760076 -0.499183   [DEG: -167.2296  100.8449  -28.6011 ]
 
# END of job
