
#######################################################
#                                                     #
#                        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   84 (  601),  selected   84 , name one
# Molecule2: number of CA atoms   87 (  616),  selected   84 , 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:    84       4_A - 87_A        0.54     0.54
  LCS_AVERAGE:     96.55

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       4_A - 87_A        0.54     0.54
  LCS_AVERAGE:     96.55

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       4_A - 87_A        0.54     0.54
  LCS_AVERAGE:     96.55

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

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     56     81     84     84     84     84     84     84     84     84     84     84     84     84     84     84     84     84     84     84 
GDT PERCENT_AT  64.37  93.10  96.55  96.55  96.55  96.55  96.55  96.55  96.55  96.55  96.55  96.55  96.55  96.55  96.55  96.55  96.55  96.55  96.55  96.55
GDT RMS_LOCAL    0.30   0.49   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54
GDT RMS_ALL_AT   0.59   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54   0.54

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  E    84_A      E    84_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     4_A      D     4_A     0.708     0    0.612   1.365     5.238   80.357   60.655
LGA    L     5_A      L     5_A     0.634     0    0.000   1.143     3.376   92.857   82.440
LGA    A     6_A      A     6_A     0.818     0    0.064   0.077     1.105   90.476   88.667
LGA    H     7_A      H     7_A     0.563     0    0.000   0.993     2.434   95.238   85.381
LGA    G     8_A      G     8_A     0.249     0    0.000   0.000     0.279  100.000  100.000
LGA    K     9_A      K     9_A     0.233     0    0.009   0.636     2.409  100.000   84.339
LGA    A    10_A      A    10_A     0.487     0    0.000   0.043     0.816  100.000   98.095
LGA    I    11_A      I    11_A     0.393     0    0.000   0.084     1.138  100.000   94.107
LGA    F    12_A      F    12_A     0.242     0    0.000   0.124     0.526  100.000   99.134
LGA    A    13_A      A    13_A     0.306     0    0.104   0.105     0.365  100.000  100.000
LGA    G    14_A      G    14_A     0.289     0    0.124   0.124     0.883   97.619   97.619
LGA    N    15_A      N    15_A     0.249     0    0.129   0.170     0.908   97.619   96.429
LGA    C    16_A      C    16_A     0.265     0    0.065   0.167     0.656  100.000   98.413
LGA    A    17_A      A    17_A     0.151     0    0.063   0.060     0.484  100.000  100.000
LGA    A    18_A      A    18_A     0.220     0    0.056   0.068     0.552  100.000   98.095
LGA    C    19_A      C    19_A     0.518     0    0.119   0.138     1.090   90.595   90.556
LGA    H    20_A      H    20_A     0.413     0    0.239   0.210     0.959   97.619   93.333
LGA    N    21_A      N    21_A     0.773     0    0.000   0.442     2.594   95.238   85.298
LGA    G    22_A      G    22_A     0.790     0    0.000   0.000     0.790   90.476   90.476
LGA    G    23_A      G    23_A     0.507     0    0.038   0.038     0.601   95.238   95.238
LGA    L    24_A      L    24_A     0.215     0    0.126   0.138     0.540  100.000   98.810
LGA    N    25_A      N    25_A     0.136     0    0.027   0.108     0.688  100.000   97.619
LGA    A    26_A      A    26_A     0.371     0    0.011   0.062     0.526   97.619   98.095
LGA    I    27_A      I    27_A     0.555     0    0.000   0.130     1.061   95.238   91.726
LGA    N    28_A      N    28_A     0.203     0    0.113   1.126     3.026  100.000   87.976
LGA    P    29_A      P    29_A     0.085     0    0.111   0.153     0.366  100.000  100.000
LGA    S    30_A      S    30_A     0.294     0    0.078   0.525     2.340   97.619   92.540
LGA    K    31_A      K    31_A     0.326     0    0.150   1.099     4.081  100.000   85.079
LGA    T    32_A      T    32_A     0.353     0    0.086   1.040     2.695   97.619   88.503
LGA    L    33_A      L    33_A     0.135     0    0.125   0.176     0.825  100.000   98.810
LGA    K    34_A      K    34_A     0.134     0    0.000   1.307     5.077  100.000   76.825
LGA    M    35_A      M    35_A     0.491     0    0.000   1.123     5.423  100.000   81.310
LGA    A    36_A      A    36_A     0.439     0    0.029   0.052     0.579   97.619   98.095
LGA    D    37_A      D    37_A     0.481     0    0.072   0.846     2.962   95.238   84.464
LGA    L    38_A      L    38_A     0.506     0    0.068   0.121     0.753   90.476   91.667
LGA    E    39_A      E    39_A     0.533     0    0.020   0.932     3.240   90.476   74.868
LGA    A    40_A      A    40_A     0.652     0    0.090   0.086     1.131   88.214   88.667
LGA    N    41_A      N    41_A     0.467     0    0.113   1.117     4.764   97.619   81.429
LGA    G    42_A      G    42_A     0.302     0    0.140   0.140     0.712   95.238   95.238
LGA    K    43_A      K    43_A     0.438     0    0.070   0.983     4.778  100.000   82.646
LGA    N    44_A      N    44_A     0.235     0    0.000   1.227     4.672  100.000   80.714
LGA    S    45_A      S    45_A     0.210     0    0.000   0.058     0.553  100.000   98.413
LGA    V    46_A      V    46_A     0.302     0    0.000   1.182     2.548  100.000   88.844
LGA    A    47_A      A    47_A     0.234     0    0.000   0.000     0.304  100.000  100.000
LGA    A    48_A      A    48_A     0.252     0    0.000   0.029     0.365  100.000  100.000
LGA    I    49_A      I    49_A     0.287     0    0.033   0.582     1.849  100.000   95.417
LGA    V    50_A      V    50_A     0.209     0    0.000   0.117     0.592  100.000   98.639
LGA    A    51_A      A    51_A     0.281     0    0.000   0.000     0.552   97.619   98.095
LGA    Q    52_A      Q    52_A     0.602     0    0.000   0.697     1.878   97.619   89.683
LGA    I    53_A      I    53_A     0.239     0    0.071   0.055     0.697  100.000   97.619
LGA    T    54_A      T    54_A     0.429     0    0.000   1.130     2.790   97.619   87.279
LGA    N    55_A      N    55_A     0.605     0    0.049   1.105     2.285   90.476   86.429
LGA    G    56_A      G    56_A     0.827     0    0.095   0.095     0.827   90.476   90.476
LGA    N    57_A      N    57_A     0.699     0    0.064   0.433     1.417   90.476   89.345
LGA    G    58_A      G    58_A     1.207     0    0.038   0.038     1.207   81.429   81.429
LGA    A    59_A      A    59_A     0.780     0    0.175   0.177     1.074   88.214   88.667
LGA    M    60_A      M    60_A     0.589     0    0.085   0.349     1.098   90.476   89.345
LGA    P    61_A      P    61_A     0.950     0    0.000   0.389     1.187   90.476   89.184
LGA    G    62_A      G    62_A     0.550     0    0.117   0.117     0.770   90.476   90.476
LGA    F    63_A      F    63_A     0.731     0    0.170   0.202     0.990   92.857   91.342
LGA    K    64_A      K    64_A     0.739     0    0.643   1.100     4.156   82.143   76.984
LGA    G    65_A      G    65_A     1.202     0    0.131   0.131     1.506   83.810   83.810
LGA    R    66_A      R    66_A     0.309     0    0.137   1.134     3.267   90.595   82.900
LGA    I    67_A      I    67_A     0.579     0    0.069   0.953     2.478   92.857   83.036
LGA    S    68_A      S    68_A     0.524     0    0.117   0.112     0.597   92.857   95.238
LGA    D    69_A      D    69_A     0.522     0    0.029   0.176     1.296   92.857   90.536
LGA    S    70_A      S    70_A     0.584     0    0.092   0.720     1.456   90.476   88.968
LGA    D    71_A      D    71_A     0.632     0    0.080   0.116     0.916   90.476   90.476
LGA    M    72_A      M    72_A     0.579     0    0.000   0.762     2.733   90.476   79.881
LGA    E    73_A      E    73_A     0.697     0    0.000   0.831     2.207   90.476   80.847
LGA    D    74_A      D    74_A     0.480     0    0.087   1.190     4.480   97.619   82.143
LGA    V    75_A      V    75_A     0.306     0    0.103   0.258     0.846  100.000   98.639
LGA    A    76_A      A    76_A     0.436     0    0.091   0.093     0.521   97.619   98.095
LGA    A    77_A      A    77_A     0.511     0    0.000   0.000     0.562   92.857   94.286
LGA    Y    78_A      Y    78_A     0.350     0    0.063   0.080     0.474  100.000  100.000
LGA    V    79_A      V    79_A     0.256     0    0.090   0.140     0.475  100.000  100.000
LGA    L    80_A      L    80_A     0.071     0    0.021   0.280     0.900  100.000   98.810
LGA    D    81_A      D    81_A     0.214     0    0.043   0.903     3.324  100.000   83.095
LGA    Q    82_A      Q    82_A     0.199     0    0.000   0.600     1.776  100.000   94.921
LGA    A    83_A      A    83_A     0.213     0    0.089   0.060     0.604   97.619   98.095
LGA    E    84_A      E    84_A     0.933     0    0.000   0.963     4.499   85.952   69.841
LGA    K    85_A      K    85_A     1.474     0    0.130   0.648     2.278   81.429   82.646
LGA    G    86_A      G    86_A     1.113     0    0.521   0.521     3.545   72.024   72.024
LGA    W    87_A      W    87_A     0.432     0    0.663   0.494     2.245   88.810   94.082

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       84     336    336  100.00     601    601  100.00                87
SUMMARY(RMSD_GDC):     0.541          0.635                  1.203           91.672   87.165

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   84   87    4.0     84    0.54    95.690    96.279    13.101

LGA_LOCAL      RMSD:   0.541  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.542  Number of assigned atoms:   84 
Std_ASGN_ATOMS RMSD:   0.541  Standard rmsd on all 84 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.383792 * X  +  -0.920189 * Y  +  -0.077175 * Z  + 255.328644
  Y_new =  -0.108824 * X  +  -0.128064 * Y  +   0.985777 * Z  + -427.289673
  Z_new =  -0.916985 * X  +  -0.369935 * Y  +  -0.149289 * Z  + 729.108398 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.276298  1.160455 -1.954363   [DEG:  -15.8307   66.4892 -111.9767 ]
ZXZ: -3.063464  1.720645 -1.954252   [DEG: -175.5236   98.5857 -111.9704 ]
 
# END of job
