
#######################################################
#                                                     #
#                        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   87 (  616),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  616),  selected   87 , 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:    87       1_A - 87_A        1.99     1.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        1.99     1.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        1.00     2.06
  LCS_AVERAGE:     95.56

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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     1_A     G     1_A      4   87   87      3    3    4    4    5    5    5    6    7   10   13   18   31   35   69   74   87   87   87   87 
LCS_GDT     S     2_A     S     2_A      4   87   87      3    3    4    4   27   36   47   78   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   87   87      3    3    4    4    5   33   47   55   79   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   87   87     53   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     L     5_A     L     5_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A     6_A     A     6_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     H     7_A     H     7_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G     8_A     G     8_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     K     9_A     K     9_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    10_A     A    10_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     I    11_A     I    11_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     F    12_A     F    12_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    13_A     A    13_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    14_A     G    14_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    15_A     N    15_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     C    16_A     C    16_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    17_A     A    17_A     85   87   87     38   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    18_A     A    18_A     85   87   87     17   47   82   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     C    19_A     C    19_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     H    20_A     H    20_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    21_A     N    21_A     85   87   87     20   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    22_A     G    22_A     85   87   87     20   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    23_A     G    23_A     85   87   87     39   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     L    24_A     L    24_A     85   87   87     36   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    25_A     N    25_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    26_A     A    26_A     85   87   87     54   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     I    27_A     I    27_A     85   87   87     45   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    28_A     N    28_A     85   87   87     52   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     P    29_A     P    29_A     85   87   87     17   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     S    30_A     S    30_A     85   87   87     36   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     K    31_A     K    31_A     85   87   87     43   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     T    32_A     T    32_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     L    33_A     L    33_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     K    34_A     K    34_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     M    35_A     M    35_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    36_A     A    36_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     D    37_A     D    37_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     L    38_A     L    38_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     E    39_A     E    39_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    40_A     A    40_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    41_A     N    41_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    42_A     G    42_A     85   87   87     13   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     K    43_A     K    43_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    44_A     N    44_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     S    45_A     S    45_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     V    46_A     V    46_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    47_A     A    47_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    48_A     A    48_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     I    49_A     I    49_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     V    50_A     V    50_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    51_A     A    51_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     I    53_A     I    53_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     T    54_A     T    54_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    55_A     N    55_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    56_A     G    56_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    57_A     N    57_A     85   87   87     47   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    58_A     G    58_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    59_A     A    59_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     M    60_A     M    60_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     P    61_A     P    61_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    62_A     G    62_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     F    63_A     F    63_A     85   87   87     56   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     K    64_A     K    64_A     85   87   87     39   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    65_A     G    65_A     85   87   87     24   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     R    66_A     R    66_A     85   87   87     24   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     I    67_A     I    67_A     85   87   87     10   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     S    68_A     S    68_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     D    69_A     D    69_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     S    70_A     S    70_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     D    71_A     D    71_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     M    72_A     M    72_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     E    73_A     E    73_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     D    74_A     D    74_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     V    75_A     V    75_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    76_A     A    76_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    77_A     A    77_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     V    79_A     V    79_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     L    80_A     L    80_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     D    81_A     D    81_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    83_A     A    83_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     E    84_A     E    84_A     85   87   87     58   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     K    85_A     K    85_A     85   87   87     27   70   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    86_A     G    86_A     85   87   87     19   77   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     W    87_A     W    87_A     85   87   87     59   81   83   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_AVERAGE  LCS_A:  98.52  (  95.56  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     81     83     84     84     84     84     84     85     86     86     86     86     86     86     86     87     87     87     87 
GDT PERCENT_AT  67.82  93.10  95.40  96.55  96.55  96.55  96.55  96.55  97.70  98.85  98.85  98.85  98.85  98.85  98.85  98.85 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.48   0.52   0.55   0.55   0.55   0.55   0.55   1.04   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.99   1.99   1.99   1.99
GDT RMS_ALL_AT   2.11   2.09   2.10   2.10   2.10   2.10   2.10   2.10   2.04   2.02   2.02   2.02   2.02   2.02   2.02   2.02   1.99   1.99   1.99   1.99

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    84_A      E    84_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    15.096     0    0.067   0.067    17.282    0.000    0.000
LGA    S     2_A      S     2_A     8.392     0    0.029   0.588    10.617    3.095   11.111
LGA    A     3_A      A     3_A     7.819     0    0.639   0.601     9.368   15.476   12.667
LGA    D     4_A      D     4_A     0.716     0    0.574   1.359     5.527   82.738   62.976
LGA    L     5_A      L     5_A     0.479     0    0.069   0.078     0.609   97.619   95.238
LGA    A     6_A      A     6_A     0.554     0    0.034   0.036     0.785   95.238   94.286
LGA    H     7_A      H     7_A     0.488     0    0.036   1.092     2.467   97.619   86.333
LGA    G     8_A      G     8_A     0.261     0    0.032   0.032     0.349  100.000  100.000
LGA    K     9_A      K     9_A     0.253     0    0.014   0.063     0.927  100.000   96.825
LGA    A    10_A      A    10_A     0.358     0    0.006   0.012     0.527  100.000   98.095
LGA    I    11_A      I    11_A     0.154     0    0.027   0.111     0.858  100.000   98.810
LGA    F    12_A      F    12_A     0.131     0    0.029   0.068     0.181  100.000  100.000
LGA    A    13_A      A    13_A     0.093     0    0.017   0.021     0.144  100.000  100.000
LGA    G    14_A      G    14_A     0.114     0    0.031   0.031     0.180  100.000  100.000
LGA    N    15_A      N    15_A     0.215     0    0.036   0.057     0.449  100.000  100.000
LGA    C    16_A      C    16_A     0.524     0    0.043   0.121     0.673   92.857   93.651
LGA    A    17_A      A    17_A     0.713     0    0.046   0.044     1.451   85.952   86.857
LGA    A    18_A      A    18_A     1.864     0    0.076   0.078     2.374   72.976   71.333
LGA    C    19_A      C    19_A     0.527     0    0.033   0.139     0.993   95.238   93.651
LGA    H    20_A      H    20_A     0.249     0    0.275   0.247     1.348   95.357   96.238
LGA    N    21_A      N    21_A     0.910     0    0.020   0.804     3.493   90.476   80.000
LGA    G    22_A      G    22_A     1.000     0    0.053   0.053     1.000   88.214   88.214
LGA    G    23_A      G    23_A     0.693     0    0.077   0.077     0.922   90.476   90.476
LGA    L    24_A      L    24_A     0.617     0    0.274   1.489     3.702   81.786   71.964
LGA    N    25_A      N    25_A     0.120     0    0.036   0.067     0.447  100.000  100.000
LGA    A    26_A      A    26_A     0.622     0    0.215   0.226     1.890   88.452   88.857
LGA    I    27_A      I    27_A     0.660     0    0.020   0.081     1.339   90.476   89.345
LGA    N    28_A      N    28_A     0.654     0    0.071   0.181     1.605   95.238   88.393
LGA    P    29_A      P    29_A     0.891     0    0.019   0.043     1.316   90.476   86.599
LGA    S    30_A      S    30_A     1.050     0    0.016   0.079     1.437   85.952   84.444
LGA    K    31_A      K    31_A     0.712     0    0.130   0.536     1.503   90.476   86.508
LGA    T    32_A      T    32_A     0.347     0    0.020   0.089     0.477  100.000  100.000
LGA    L    33_A      L    33_A     0.344     0    0.013   0.139     0.474  100.000  100.000
LGA    K    34_A      K    34_A     0.332     0    0.045   0.919     5.049  100.000   83.122
LGA    M    35_A      M    35_A     0.234     0    0.026   0.083     0.566  100.000   98.810
LGA    A    36_A      A    36_A     0.374     0    0.015   0.016     0.481  100.000  100.000
LGA    D    37_A      D    37_A     0.424     0    0.021   0.117     0.857  100.000   96.429
LGA    L    38_A      L    38_A     0.277     0    0.020   0.061     0.428  100.000  100.000
LGA    E    39_A      E    39_A     0.363     0    0.024   0.930     3.104   97.619   81.640
LGA    A    40_A      A    40_A     0.446     0    0.063   0.066     0.668   97.619   98.095
LGA    N    41_A      N    41_A     0.403     0    0.017   0.094     0.600   95.238   96.429
LGA    G    42_A      G    42_A     0.602     0    0.016   0.016     0.651   90.476   90.476
LGA    K    43_A      K    43_A     0.501     0    0.077   0.604     1.641   95.238   90.688
LGA    N    44_A      N    44_A     0.324     0    0.267   0.219     1.468   92.976   91.786
LGA    S    45_A      S    45_A     0.289     0    0.023   0.072     0.441  100.000  100.000
LGA    V    46_A      V    46_A     0.160     0    0.020   0.032     0.476  100.000  100.000
LGA    A    47_A      A    47_A     0.298     0    0.009   0.014     0.423  100.000  100.000
LGA    A    48_A      A    48_A     0.464     0    0.045   0.052     0.540   97.619   96.190
LGA    I    49_A      I    49_A     0.356     0    0.021   0.071     0.445  100.000  100.000
LGA    V    50_A      V    50_A     0.220     0    0.016   0.035     0.273  100.000  100.000
LGA    A    51_A      A    51_A     0.363     0    0.018   0.026     0.383  100.000  100.000
LGA    Q    52_A      Q    52_A     0.437     0    0.000   0.797     2.803  100.000   88.995
LGA    I    53_A      I    53_A     0.357     0    0.009   0.046     0.413  100.000  100.000
LGA    T    54_A      T    54_A     0.364     0    0.024   0.030     0.455  100.000  100.000
LGA    N    55_A      N    55_A     0.332     0    0.031   0.114     0.789  100.000   96.429
LGA    G    56_A      G    56_A     0.235     0    0.019   0.019     0.531   97.619   97.619
LGA    N    57_A      N    57_A     0.664     0    0.157   0.533     2.170   95.238   87.381
LGA    G    58_A      G    58_A     0.470     0    0.025   0.025     0.591   95.238   95.238
LGA    A    59_A      A    59_A     0.417     0    0.116   0.123     0.777  100.000   98.095
LGA    M    60_A      M    60_A     0.425     0    0.008   0.110     0.703  100.000   96.429
LGA    P    61_A      P    61_A     0.482     0    0.032   0.036     0.764   97.619   94.558
LGA    G    62_A      G    62_A     0.343     0    0.047   0.047     0.413  100.000  100.000
LGA    F    63_A      F    63_A     0.549     0    0.066   0.086     1.008   92.857   90.519
LGA    K    64_A      K    64_A     0.680     0    0.017   0.976     7.006   92.857   70.529
LGA    G    65_A      G    65_A     0.934     0    0.035   0.035     1.161   88.214   88.214
LGA    R    66_A      R    66_A     0.830     0    0.142   1.254     4.867   90.476   66.883
LGA    I    67_A      I    67_A     0.676     0    0.108   1.132     2.754   90.476   80.774
LGA    S    68_A      S    68_A     0.249     0    0.051   0.085     0.333  100.000  100.000
LGA    D    69_A      D    69_A     0.275     0    0.006   0.242     1.276  100.000   96.488
LGA    S    70_A      S    70_A     0.366     0    0.029   0.718     1.789   97.619   92.302
LGA    D    71_A      D    71_A     0.486     0    0.072   0.249     1.374  100.000   92.976
LGA    M    72_A      M    72_A     0.301     0    0.036   0.138     0.496  100.000  100.000
LGA    E    73_A      E    73_A     0.366     0    0.007   0.696     2.705  100.000   88.307
LGA    D    74_A      D    74_A     0.348     0    0.015   0.066     0.557  100.000   97.619
LGA    V    75_A      V    75_A     0.419     0    0.032   1.106     2.393  100.000   88.571
LGA    A    76_A      A    76_A     0.359     0    0.011   0.028     0.397  100.000  100.000
LGA    A    77_A      A    77_A     0.342     0    0.022   0.025     0.435  100.000  100.000
LGA    Y    78_A      Y    78_A     0.392     0    0.013   0.098     0.458  100.000  100.000
LGA    V    79_A      V    79_A     0.345     0    0.013   0.039     0.404  100.000  100.000
LGA    L    80_A      L    80_A     0.131     0    0.028   0.183     0.475  100.000  100.000
LGA    D    81_A      D    81_A     0.325     0    0.021   0.070     0.473  100.000  100.000
LGA    Q    82_A      Q    82_A     0.387     0    0.011   0.799     2.101  100.000   93.069
LGA    A    83_A      A    83_A     0.355     0    0.011   0.012     0.498  100.000  100.000
LGA    E    84_A      E    84_A     0.526     0    0.037   1.117     3.953   92.857   76.138
LGA    K    85_A      K    85_A     1.170     0    0.015   0.949     2.809   83.690   79.841
LGA    G    86_A      G    86_A     1.376     0    0.558   0.558     3.812   69.762   69.762
LGA    W    87_A      W    87_A     0.363     0    0.504   1.207     7.127   84.405   57.551

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     616    616  100.00                87
SUMMARY(RMSD_GDC):     1.986          1.982                  1.938           92.666   89.205

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.55    96.264    97.696    12.855

LGA_LOCAL      RMSD:   0.553  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.104  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   1.986  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.314400 * X  +   0.270084 * Y  +   0.910059 * Z  +  -1.772946
  Y_new =   0.424433 * X  +   0.897508 * Y  +  -0.119730 * Z  +  20.087128
  Z_new =  -0.849122 * X  +   0.348616 * Y  +  -0.396810 * Z  +  80.756882 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.208354  1.014321  2.420757   [DEG:  126.5293   58.1163  138.6992 ]
ZXZ:  1.439985  1.978835 -1.181219   [DEG:   82.5051  113.3789  -67.6789 ]
 
# END of job
