
#######################################################
#                                                     #
#                        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       1.75     1.75
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      23_A - 101_A       1.75     1.75
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      23_A - 98_A        0.95     1.89
  LONGEST_CONTINUOUS_SEGMENT:    76      24_A - 99_A        0.90     1.84
  LCS_AVERAGE:     93.99

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   79   79      3    3    6   14   66   75   76   76   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     G    24_A     G    24_A     76   79   79      3   32   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     S    25_A     S    25_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     M    26_A     M    26_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    27_A     K    27_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    28_A     I    28_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Y    29_A     Y    29_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    30_A     V    30_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    31_A     K    31_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    32_A     L    32_A     76   79   79     27   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Q    33_A     Q    33_A     76   79   79     13   67   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     D    34_A     D    34_A     76   79   79     13   64   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     G    35_A     G    35_A     76   79   79     10   67   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     T    36_A     T    36_A     76   79   79     16   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    37_A     V    37_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    38_A     I    38_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    39_A     E    39_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    40_A     L    40_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    41_A     E    41_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    42_A     V    42_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    43_A     E    43_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     P    44_A     P    44_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     S    45_A     S    45_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     D    46_A     D    46_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     T    47_A     T    47_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    48_A     I    48_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    49_A     L    49_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    51_A     V    51_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    52_A     K    52_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    53_A     E    53_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    54_A     K    54_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    55_A     I    55_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Y    56_A     Y    56_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    57_A     E    57_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    58_A     K    58_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     T    59_A     T    59_A     76   79   79     34   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     G    60_A     G    60_A     76   79   79     51   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    61_A     I    61_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     P    62_A     P    62_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     P    63_A     P    63_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     D    65_A     D    65_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Q    66_A     Q    66_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    67_A     I    67_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    68_A     L    68_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    69_A     I    69_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Y    70_A     Y    70_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     G    72_A     G    72_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    73_A     K    73_A     76   79   79     37   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    74_A     V    74_A     76   79   79     46   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    75_A     L    75_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    76_A     E    76_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     D    77_A     D    77_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     S    78_A     S    78_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    79_A     K    79_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     T    80_A     T    80_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    81_A     L    81_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     A    82_A     A    82_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     D    83_A     D    83_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Y    84_A     Y    84_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     N    85_A     N    85_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    86_A     I    86_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Q    87_A     Q    87_A     76   79   79     11   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    88_A     E    88_A     76   79   79     44   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     N    89_A     N    89_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     D    90_A     D    90_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    91_A     V    91_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    92_A     L    92_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Y    93_A     Y    93_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    94_A     L    94_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    95_A     V    95_A     76   79   79     59   68   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     R    96_A     R    96_A     76   79   79     14   66   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     R    97_A     R    97_A     76   79   79      4   18   71   74   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    98_A     L    98_A     76   79   79      4   13   45   72   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    99_A     K    99_A     76   79   79      4   14   44   68   76   76   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     S   100_A     S   100_A     11   79   79      4    8   17   33   60   70   77   77   77   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     P   101_A     P   101_A      3   79   79      3    3    5   10   14   15   21   28   47   63   78   78   78   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  98.00  (  93.99  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     59     68     71     74     76     76     77     77     77     78     78     78     78     79     79     79     79     79     79     79 
GDT PERCENT_AT  74.68  86.08  89.87  93.67  96.20  96.20  97.47  97.47  97.47  98.73  98.73  98.73  98.73 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.39   0.47   0.60   0.90   0.90   1.17   1.17   1.06   1.30   1.30   1.30   1.30   1.75   1.75   1.75   1.75   1.75   1.75   1.75
GDT RMS_ALL_AT   1.98   1.97   1.99   1.94   1.84   1.84   1.78   1.78   1.84   1.78   1.78   1.78   1.78   1.75   1.75   1.75   1.75   1.75   1.75   1.75

# Checking swapping
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    84_A      Y    84_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     5.255     0    0.637   0.637     5.255   34.524   34.524
LGA    G    24_A      G    24_A     1.499     0    0.241   0.241     2.549   77.619   77.619
LGA    S    25_A      S    25_A     0.453     0    0.090   0.577     2.934   95.238   88.095
LGA    M    26_A      M    26_A     0.799     0    0.047   0.156     1.151   90.476   89.345
LGA    K    27_A      K    27_A     0.621     0    0.056   1.115     4.797   90.476   74.021
LGA    I    28_A      I    28_A     0.424     0    0.036   0.098     0.504   97.619   98.810
LGA    Y    29_A      Y    29_A     0.369     0    0.014   0.136     1.553  100.000   90.714
LGA    V    30_A      V    30_A     0.320     0    0.044   0.080     0.547  100.000   98.639
LGA    K    31_A      K    31_A     0.394     0    0.028   0.677     2.503   95.238   82.169
LGA    L    32_A      L    32_A     1.130     0    0.048   0.112     1.459   83.690   83.690
LGA    Q    33_A      Q    33_A     1.549     0    0.028   1.214     6.001   75.000   55.291
LGA    D    34_A      D    34_A     1.941     0    0.128   0.281     2.237   75.000   72.976
LGA    G    35_A      G    35_A     1.559     0    0.129   0.129     1.877   75.000   75.000
LGA    T    36_A      T    36_A     1.097     0    0.050   1.194     3.418   85.952   75.034
LGA    V    37_A      V    37_A     0.553     0    0.031   1.056     3.007   92.857   81.293
LGA    I    38_A      I    38_A     0.581     0    0.029   0.063     0.813   95.238   92.857
LGA    E    39_A      E    39_A     0.474     0    0.034   1.287     5.257   95.238   75.291
LGA    L    40_A      L    40_A     0.419     0    0.060   0.109     0.687  100.000   98.810
LGA    E    41_A      E    41_A     0.577     0    0.049   0.824     2.924   92.857   84.815
LGA    V    42_A      V    42_A     0.403     0    0.024   0.073     0.867   92.857   95.918
LGA    E    43_A      E    43_A     0.552     0    0.031   0.932     2.458   92.857   83.810
LGA    P    44_A      P    44_A     0.508     0    0.039   0.114     1.026   95.238   91.905
LGA    S    45_A      S    45_A     0.217     0    0.096   0.709     2.147  100.000   92.540
LGA    D    46_A      D    46_A     0.227     0    0.039   0.138     0.712  100.000   98.810
LGA    T    47_A      T    47_A     0.358     0    0.046   0.042     0.537  100.000   98.639
LGA    I    48_A      I    48_A     0.553     0    0.032   0.610     2.333   90.476   86.131
LGA    L    49_A      L    49_A     0.829     0    0.035   1.019     2.999   90.476   79.881
LGA    E    50_A      E    50_A     0.624     0    0.033   0.920     3.864   95.238   75.450
LGA    V    51_A      V    51_A     0.334     0    0.041   0.121     0.480  100.000  100.000
LGA    K    52_A      K    52_A     0.557     0    0.026   0.078     1.025   90.476   89.471
LGA    E    53_A      E    53_A     0.644     0    0.042   0.829     4.068   90.476   76.138
LGA    K    54_A      K    54_A     0.521     0    0.041   0.280     2.072   92.857   86.720
LGA    I    55_A      I    55_A     0.419     0    0.031   0.087     0.611   95.238   96.429
LGA    Y    56_A      Y    56_A     0.649     0    0.035   0.151     1.087   90.476   90.556
LGA    E    57_A      E    57_A     0.837     0    0.078   1.172     4.533   90.476   77.196
LGA    K    58_A      K    58_A     0.715     0    0.163   0.718     1.878   90.476   86.561
LGA    T    59_A      T    59_A     0.959     0    0.052   1.141     2.734   83.690   79.320
LGA    G    60_A      G    60_A     1.148     0    0.038   0.038     1.245   83.690   83.690
LGA    I    61_A      I    61_A     0.715     0    0.089   0.931     2.741   90.476   82.976
LGA    P    62_A      P    62_A     0.706     0    0.034   0.128     1.210   90.476   87.891
LGA    P    63_A      P    63_A     0.614     0    0.041   0.250     0.857   90.476   90.476
LGA    E    64_A      E    64_A     0.728     0    0.092   0.695     2.390   90.476   87.619
LGA    D    65_A      D    65_A     0.661     0    0.151   0.181     1.061   95.238   91.726
LGA    Q    66_A      Q    66_A     0.644     0    0.064   0.157     1.217   90.476   89.471
LGA    I    67_A      I    67_A     0.692     0    0.043   1.374     4.225   92.857   79.583
LGA    L    68_A      L    68_A     0.339     0    0.030   0.098     0.519  100.000   98.810
LGA    I    69_A      I    69_A     0.376     0    0.018   0.080     0.695  100.000   97.619
LGA    Y    70_A      Y    70_A     0.372     0    0.033   0.105     0.827   97.619   96.032
LGA    K    71_A      K    71_A     0.570     0    0.100   1.428     5.807   92.857   77.196
LGA    G    72_A      G    72_A     0.867     0    0.084   0.084     1.121   88.214   88.214
LGA    K    73_A      K    73_A     0.644     0    0.019   0.246     0.757   90.476   93.651
LGA    V    74_A      V    74_A     0.588     0    0.032   1.019     2.955   90.476   80.952
LGA    L    75_A      L    75_A     0.616     0    0.065   0.112     0.807   90.476   90.476
LGA    E    76_A      E    76_A     0.673     0    0.082   0.888     4.835   90.476   75.714
LGA    D    77_A      D    77_A     0.622     0    0.048   0.292     1.107   90.476   89.345
LGA    S    78_A      S    78_A     0.517     0    0.019   0.078     0.613   92.857   95.238
LGA    K    79_A      K    79_A     0.599     0    0.030   0.733     3.283   90.476   87.037
LGA    T    80_A      T    80_A     0.336     0    0.057   0.055     0.649   97.619   98.639
LGA    L    81_A      L    81_A     0.473     0    0.051   0.105     0.709   95.238   96.429
LGA    A    82_A      A    82_A     0.705     0    0.022   0.039     0.805   90.476   90.476
LGA    D    83_A      D    83_A     0.641     0    0.035   0.368     1.182   90.476   90.536
LGA    Y    84_A      Y    84_A     0.730     0    0.114   0.274     1.020   88.214   92.897
LGA    N    85_A      N    85_A     0.869     0    0.036   0.804     3.772   90.476   74.524
LGA    I    86_A      I    86_A     0.643     0    0.033   0.559     1.265   90.476   90.536
LGA    Q    87_A      Q    87_A     1.347     0    0.033   0.423     2.032   83.690   76.772
LGA    E    88_A      E    88_A     1.127     0    0.070   1.207     7.472   85.952   61.005
LGA    N    89_A      N    89_A     0.598     0    0.093   0.392     1.522   90.476   88.274
LGA    D    90_A      D    90_A     0.424     0    0.083   0.156     0.870   97.619   95.238
LGA    V    91_A      V    91_A     0.218     0    0.042   0.058     0.400  100.000  100.000
LGA    L    92_A      L    92_A     0.333     0    0.029   1.125     2.545  100.000   89.048
LGA    Y    93_A      Y    93_A     0.372     0    0.027   1.402     9.297  100.000   56.984
LGA    L    94_A      L    94_A     0.404     0    0.031   0.076     0.869  100.000   95.238
LGA    V    95_A      V    95_A     0.194     0    0.076   0.103     0.657  100.000   98.639
LGA    R    96_A      R    96_A     0.892     0    0.055   0.954     2.654   83.810   73.939
LGA    R    97_A      R    97_A     1.417     0    0.118   0.695     3.300   77.381   70.996
LGA    L    98_A      L    98_A     3.189     0    0.103   1.161     6.439   50.119   43.512
LGA    K    99_A      K    99_A     3.638     0    0.029   1.411     4.997   39.048   42.434
LGA    S   100_A      S   100_A     6.353     0    0.176   0.662     8.112   13.810   15.000
LGA    P   101_A      P   101_A    10.916     0    0.062   0.138    12.076    0.357    0.612

# 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):     1.753          1.784                  2.106           87.812   82.531

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  103   79    4.0     77    1.17    94.304    96.630     6.075

LGA_LOCAL      RMSD:   1.167  Number of atoms:   77  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.785  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   1.753  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.270431 * X  +  -0.584344 * Y  +  -0.765120 * Z  +  69.718430
  Y_new =  -0.676044 * X  +   0.681088 * Y  +  -0.281219 * Z  +  51.001587
  Z_new =   0.685443 * X  +   0.441205 * Y  +  -0.579230 * Z  +  12.719240 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.951320 -0.755212  2.490640   [DEG: -111.8024  -43.2704  142.7031 ]
ZXZ: -1.218574  2.188580  0.998878   [DEG:  -69.8192  125.3964   57.2315 ]
 
# END of job
