
#######################################################
#                                                     #
#                        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        0.50     0.49
  LCS_AVERAGE:     96.55

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       4_A - 87_A        0.50     0.49
  LCS_AVERAGE:     96.55

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       4_A - 87_A        0.50     0.49
  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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     53   82   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     34   82   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     59   82   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     59   82   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     59   82   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     59   82   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     57   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     57   82   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     16   82   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     59   82   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   82   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     16   82   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     16   82   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      8   82   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      8   82   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      8   82   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     57   82   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      8   82   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     55   82   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     55   82   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     34   82   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     59   82   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     59   82   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     26   82   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     14   82   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     55   82   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     54   82   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     34   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     59   82   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     43   82   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     13   68   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     16   76   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     59   82   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     59     82     84     84     84     84     84     84     84     84     84     84     84     84     84     84     84     84     84     84 
GDT PERCENT_AT  67.82  94.25  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   0.46   0.50   0.50   0.50   0.50   0.50   0.50   0.50   0.50   0.50   0.50   0.50   0.50   0.50   0.50   0.50   0.50   0.50   0.50
GDT RMS_ALL_AT   0.56   0.50   0.49   0.49   0.49   0.49   0.49   0.49   0.49   0.49   0.49   0.49   0.49   0.49   0.49   0.49   0.49   0.49   0.49   0.49

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  D    37_A      D    37_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  D    81_A      D    81_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     0.794     0    0.571   1.320     5.342   80.357   62.381
LGA    L     5_A      L     5_A     0.592     0    0.038   0.054     1.074   95.238   91.726
LGA    A     6_A      A     6_A     0.654     0    0.000   0.000     0.856   95.238   94.286
LGA    H     7_A      H     7_A     0.512     0    0.027   1.140     2.537   95.238   82.952
LGA    G     8_A      G     8_A     0.247     0    0.000   0.000     0.389  100.000  100.000
LGA    K     9_A      K     9_A     0.191     0    0.000   0.000     0.862  100.000   97.884
LGA    A    10_A      A    10_A     0.458     0    0.038   0.000     0.728  100.000   98.095
LGA    I    11_A      I    11_A     0.429     0    0.000   0.667     2.171  100.000   92.024
LGA    F    12_A      F    12_A     0.255     0    0.078   0.095     0.461  100.000  100.000
LGA    A    13_A      A    13_A     0.328     0    0.064   0.081     0.433  100.000  100.000
LGA    G    14_A      G    14_A     0.266     0    0.022   0.022     0.388  100.000  100.000
LGA    N    15_A      N    15_A     0.313     0    0.000   0.000     0.545  100.000   98.810
LGA    C    16_A      C    16_A     0.115     0    0.081   0.105     0.187  100.000  100.000
LGA    A    17_A      A    17_A     0.131     0    0.000   0.000     0.276  100.000  100.000
LGA    A    18_A      A    18_A     0.352     0    0.031   0.013     0.683   97.619   96.190
LGA    C    19_A      C    19_A     0.467     0    0.056   0.093     0.665   97.619   95.238
LGA    H    20_A      H    20_A     0.305     0    0.139   0.148     0.638   97.619   99.048
LGA    N    21_A      N    21_A     0.713     0    0.000   0.733     2.639   95.238   86.429
LGA    G    22_A      G    22_A     0.794     0    0.101   0.101     0.794   90.476   90.476
LGA    G    23_A      G    23_A     0.526     0    0.000   0.000     0.648   95.238   95.238
LGA    L    24_A      L    24_A     0.236     0    0.008   0.137     0.713  100.000   97.619
LGA    N    25_A      N    25_A     0.133     0    0.082   0.104     0.284  100.000  100.000
LGA    A    26_A      A    26_A     0.229     0    0.175   0.184     0.930   97.619   98.095
LGA    I    27_A      I    27_A     0.376     0    0.000   0.616     1.919   97.619   94.226
LGA    N    28_A      N    28_A     0.192     0    0.000   0.908     3.020  100.000   85.000
LGA    P    29_A      P    29_A     0.298     0    0.000   0.088     0.666   97.619   98.639
LGA    S    30_A      S    30_A     0.703     0    0.000   0.050     1.014   95.238   92.143
LGA    K    31_A      K    31_A     0.310     0    0.078   0.485     1.177  100.000   94.815
LGA    T    32_A      T    32_A     0.221     0    0.064   0.123     0.457  100.000  100.000
LGA    L    33_A      L    33_A     0.204     0    0.000   0.044     0.247  100.000  100.000
LGA    K    34_A      K    34_A     0.147     0    0.000   0.898     5.038  100.000   83.122
LGA    M    35_A      M    35_A     0.550     0    0.000   1.063     5.761   92.857   75.238
LGA    A    36_A      A    36_A     0.452     0    0.027   0.064     0.491  100.000  100.000
LGA    D    37_A      D    37_A     0.413     0    0.014   0.525     2.314  100.000   93.214
LGA    L    38_A      L    38_A     0.405     0    0.000   0.036     0.452  100.000  100.000
LGA    E    39_A      E    39_A     0.458     0    0.039   0.934     3.524  100.000   78.624
LGA    A    40_A      A    40_A     0.564     0    0.059   0.062     0.731   95.238   94.286
LGA    N    41_A      N    41_A     0.472     0    0.000   0.154     0.943  100.000   95.238
LGA    G    42_A      G    42_A     0.151     0    0.075   0.075     0.252  100.000  100.000
LGA    K    43_A      K    43_A     0.294     0    0.012   0.719     4.551  100.000   83.704
LGA    N    44_A      N    44_A     0.233     0    0.073   1.203     4.736  100.000   81.667
LGA    S    45_A      S    45_A     0.173     0    0.068   0.063     0.317  100.000  100.000
LGA    V    46_A      V    46_A     0.170     0    0.000   0.061     0.325  100.000  100.000
LGA    A    47_A      A    47_A     0.184     0    0.051   0.000     0.277  100.000  100.000
LGA    A    48_A      A    48_A     0.270     0    0.000   0.000     0.331  100.000  100.000
LGA    I    49_A      I    49_A     0.305     0    0.064   0.031     0.376  100.000  100.000
LGA    V    50_A      V    50_A     0.171     0    0.087   0.100     0.461  100.000  100.000
LGA    A    51_A      A    51_A     0.422     0    0.000   0.000     0.683   95.238   96.190
LGA    Q    52_A      Q    52_A     0.704     0    0.000   0.771     1.612   95.238   87.725
LGA    I    53_A      I    53_A     0.196     0    0.071   0.094     1.038  100.000   96.488
LGA    T    54_A      T    54_A     0.508     0    0.000   0.108     0.871   92.857   91.837
LGA    N    55_A      N    55_A     0.750     0    0.113   0.225     1.386   90.476   88.214
LGA    G    56_A      G    56_A     0.756     0    0.066   0.066     0.763   90.476   90.476
LGA    N    57_A      N    57_A     0.588     0    0.125   0.446     1.136   92.857   90.536
LGA    G    58_A      G    58_A     1.058     0    0.063   0.063     1.058   88.214   88.214
LGA    A    59_A      A    59_A     0.650     0    0.118   0.107     0.794   90.476   90.476
LGA    M    60_A      M    60_A     0.491     0    0.000   0.114     0.840   95.238   94.048
LGA    P    61_A      P    61_A     0.781     0    0.049   0.023     1.033   90.476   87.891
LGA    G    62_A      G    62_A     0.453     0    0.084   0.084     0.544   97.619   97.619
LGA    F    63_A      F    63_A     0.554     0    0.040   0.080     0.636   92.857   95.671
LGA    K    64_A      K    64_A     0.652     0    0.000   0.502     1.545   95.238   89.735
LGA    G    65_A      G    65_A     0.239     0    0.000   0.000     0.801   97.619   97.619
LGA    R    66_A      R    66_A     0.368     0    0.100   1.090     3.757   95.238   84.156
LGA    I    67_A      I    67_A     0.585     0    0.103   0.108     1.015   90.595   92.917
LGA    S    68_A      S    68_A     0.597     0    0.055   0.155     0.605   90.476   90.476
LGA    D    69_A      D    69_A     0.487     0    0.067   0.313     1.545   97.619   94.226
LGA    S    70_A      S    70_A     0.550     0    0.058   0.743     1.719   92.857   89.127
LGA    D    71_A      D    71_A     0.593     0    0.000   0.205     1.264   90.476   88.214
LGA    M    72_A      M    72_A     0.591     0    0.048   0.713     1.932   90.476   87.143
LGA    E    73_A      E    73_A     0.664     0    0.083   0.910     2.981   90.476   80.899
LGA    D    74_A      D    74_A     0.409     0    0.000   0.139     0.638  100.000   97.619
LGA    V    75_A      V    75_A     0.342     0    0.000   0.245     0.787  100.000   97.279
LGA    A    76_A      A    76_A     0.484     0    0.000   0.000     0.617   95.238   94.286
LGA    A    77_A      A    77_A     0.530     0    0.059   0.022     0.598   92.857   92.381
LGA    Y    78_A      Y    78_A     0.316     0    0.048   0.109     0.391  100.000  100.000
LGA    V    79_A      V    79_A     0.324     0    0.054   0.078     0.459  100.000  100.000
LGA    L    80_A      L    80_A     0.086     0    0.060   0.193     0.414  100.000  100.000
LGA    D    81_A      D    81_A     0.243     0    0.000   0.101     0.899  100.000   96.429
LGA    Q    82_A      Q    82_A     0.186     0    0.024   0.311     1.206  100.000   95.820
LGA    A    83_A      A    83_A     0.203     0    0.035   0.048     0.463  100.000  100.000
LGA    E    84_A      E    84_A     0.703     0    0.096   1.178     4.196   92.857   75.450
LGA    K    85_A      K    85_A     1.225     0    0.000   0.881     1.963   83.690   81.587
LGA    G    86_A      G    86_A     1.122     0    0.619   0.619     3.903   72.024   72.024
LGA    W    87_A      W    87_A     0.498     0    0.128   0.120     0.995   95.238   97.279

# 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):     0.495          0.564                  0.995           93.001   89.844

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   84   87    4.0     84    0.50    95.977    96.370    14.109

LGA_LOCAL      RMSD:   0.495  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.494  Number of assigned atoms:   84 
Std_ASGN_ATOMS RMSD:   0.495  Standard rmsd on all 84 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.354035 * X  +   0.766332 * Y  +  -0.536092 * Z  + 182.473251
  Y_new =  -0.374429 * X  +   0.409130 * Y  +   0.832115 * Z  + -482.353333
  Z_new =   0.857008 * X  +   0.495326 * Y  +   0.142090 * Z  + -242.773849 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.328206 -1.029435  1.291435   [DEG: -133.3964  -58.9823   73.9938 ]
ZXZ: -2.569269  1.428223  1.046732   [DEG: -147.2083   81.8312   59.9733 ]
 
# END of job
