
#######################################################
#                                                     #
#                        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   89 (  636),  selected   89 , name one
# Molecule2: number of CA atoms   89 (  636),  selected   89 , 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:    89       1_A - 89_A        0.83     0.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.83     0.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.83     0.83
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   89
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     89   89   89      3   11   33   60   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S     2_A     S     2_A     89   89   89      3    4    4   10   55   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     89   89   89     15   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     89   89   89     61   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     89   89   89     61   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     89   89   89     58   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     89   89   89     46   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     89   89   89     46   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     89   89   89     61   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     89   89   89     61   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     89   89   89     61   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     89   89   89     61   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     89   89   89     61   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     89   89   89     48   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     89   89   89     56   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     89   89   89     22   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     89   89   89     20   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     89   89   89     27   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     89   89   89     51   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     89   89   89     21   79   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     89   89   89     51   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     89   89   89     57   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     89   89   89     63   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     89   89   89     24   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     89   89   89     39   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     89   89   89      6   11   77   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A     89   89   89      0   23   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     63     84     86     87     88     89     89     89     89     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  70.79  94.38  96.63  97.75  98.88 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.45   0.50   0.57   0.69   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83
GDT RMS_ALL_AT   0.85   0.84   0.84   0.84   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  E    47_A      E    47_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     3.473     0    0.178   0.178     3.473   59.643   59.643
LGA    S     2_A      S     2_A     4.289     0    0.101   0.584     6.125   47.143   38.651
LGA    A     3_A      A     3_A     1.059     0    0.464   0.492     1.885   81.548   79.810
LGA    D     4_A      D     4_A     0.423     0    0.066   0.078     0.750   97.619   95.238
LGA    L     5_A      L     5_A     0.435     0    0.059   0.057     0.505  100.000   98.810
LGA    A     6_A      A     6_A     0.566     0    0.045   0.049     0.802   95.238   94.286
LGA    H     7_A      H     7_A     0.494     0    0.050   1.138     2.415  100.000   88.381
LGA    G     8_A      G     8_A     0.386     0    0.073   0.073     0.628   97.619   97.619
LGA    G     9_A      G     9_A     0.330     0    0.022   0.022     0.371  100.000  100.000
LGA    Q    10_A      Q    10_A     0.404     0    0.010   0.349     1.115   95.238   94.762
LGA    V    11_A      V    11_A     0.657     0    0.012   0.040     0.950   90.476   90.476
LGA    F    12_A      F    12_A     0.404     0    0.031   0.065     0.671  100.000   95.671
LGA    S    13_A      S    13_A     0.219     0    0.009   0.048     0.368  100.000  100.000
LGA    A    14_A      A    14_A     0.327     0    0.062   0.073     0.535   97.619   98.095
LGA    N    15_A      N    15_A     0.342     0    0.042   0.059     0.904  100.000   95.238
LGA    C    16_A      C    16_A     0.478     0    0.037   0.126     0.958   95.238   93.651
LGA    A    17_A      A    17_A     0.504     0    0.029   0.026     0.695   92.857   94.286
LGA    A    18_A      A    18_A     0.644     0    0.018   0.018     0.950   90.476   90.476
LGA    C    19_A      C    19_A     0.814     0    0.050   0.072     1.039   90.476   88.968
LGA    H    20_A      H    20_A     0.460     0    0.305   1.142     2.365   90.595   86.286
LGA    L    21_A      L    21_A     0.692     0    0.067   0.184     1.396   95.238   89.464
LGA    G    22_A      G    22_A     0.459     0    0.069   0.069     0.476  100.000  100.000
LGA    G    23_A      G    23_A     0.573     0    0.071   0.071     0.923   92.857   92.857
LGA    R    24_A      R    24_A     0.530     0    0.230   1.171     7.291   84.167   62.294
LGA    N    25_A      N    25_A     0.249     0    0.057   0.108     0.836   97.619   97.619
LGA    V    26_A      V    26_A     0.446     0    0.126   0.145     1.284   92.976   91.905
LGA    V    27_A      V    27_A     0.569     0    0.043   0.047     0.806   92.857   93.197
LGA    N    28_A      N    28_A     0.650     0    0.057   0.150     1.210   92.857   90.536
LGA    P    29_A      P    29_A     0.633     0    0.014   0.026     0.691   90.476   90.476
LGA    A    30_A      A    30_A     0.658     0    0.042   0.042     0.777   90.476   90.476
LGA    K    31_A      K    31_A     0.472     0    0.088   0.094     0.823   97.619   94.709
LGA    T    32_A      T    32_A     0.363     0    0.022   0.027     0.371  100.000  100.000
LGA    L    33_A      L    33_A     0.257     0    0.012   0.173     0.655  100.000   98.810
LGA    Q    34_A      Q    34_A     0.557     0    0.028   0.947     4.413   95.238   76.243
LGA    K    35_A      K    35_A     0.695     0    0.017   0.553     3.573   92.857   75.291
LGA    A    36_A      A    36_A     0.427     0    0.031   0.033     0.546   97.619   98.095
LGA    D    37_A      D    37_A     0.255     0    0.026   0.112     0.543  100.000   98.810
LGA    L    38_A      L    38_A     0.227     0    0.021   0.117     0.665   97.619   96.429
LGA    D    39_A      D    39_A     0.764     0    0.020   0.045     1.248   90.595   88.274
LGA    Q    40_A      Q    40_A     0.818     0    0.051   1.146     4.709   88.214   78.095
LGA    Y    41_A      Y    41_A     0.982     0    0.014   0.065     1.327   85.952   85.198
LGA    G    42_A      G    42_A     1.061     0    0.056   0.056     1.061   85.952   85.952
LGA    M    43_A      M    43_A     0.524     0    0.056   0.911     2.297   95.238   88.512
LGA    A    44_A      A    44_A     0.249     0    0.272   0.259     1.088   95.357   94.381
LGA    S    45_A      S    45_A     0.218     0    0.018   0.040     0.414  100.000  100.000
LGA    I    46_A      I    46_A     0.090     0    0.036   0.069     0.513  100.000   98.810
LGA    E    47_A      E    47_A     0.268     0    0.040   0.952     4.147  100.000   78.519
LGA    A    48_A      A    48_A     0.219     0    0.016   0.023     0.297  100.000  100.000
LGA    I    49_A      I    49_A     0.178     0    0.011   0.062     0.217  100.000  100.000
LGA    T    50_A      T    50_A     0.184     0    0.040   1.096     2.346  100.000   91.088
LGA    T    51_A      T    51_A     0.131     0    0.020   0.053     0.319  100.000  100.000
LGA    Q    52_A      Q    52_A     0.408     0    0.045   0.804     3.808  100.000   86.508
LGA    V    53_A      V    53_A     0.146     0    0.023   0.027     0.217  100.000  100.000
LGA    T    54_A      T    54_A     0.130     0    0.026   0.071     0.189  100.000  100.000
LGA    N    55_A      N    55_A     0.212     0    0.043   0.097     0.363  100.000  100.000
LGA    G    56_A      G    56_A     0.525     0    0.008   0.008     0.558   92.857   92.857
LGA    K    57_A      K    57_A     0.816     0    0.032   0.111     1.472   90.476   87.460
LGA    G    58_A      G    58_A     1.236     0    0.022   0.022     1.236   81.429   81.429
LGA    A    59_A      A    59_A     0.734     0    0.023   0.023     0.926   92.857   92.381
LGA    M    60_A      M    60_A     0.364     0    0.009   0.167     0.597  100.000   98.810
LGA    P    61_A      P    61_A     0.300     0    0.031   0.157     0.434  100.000  100.000
LGA    A    62_A      A    62_A     0.239     0    0.026   0.029     0.317  100.000  100.000
LGA    F    63_A      F    63_A     0.346     0    0.024   0.100     0.554  100.000   98.268
LGA    G    64_A      G    64_A     0.353     0    0.031   0.031     0.746   95.238   95.238
LGA    S    65_A      S    65_A     0.837     0    0.084   0.672     3.258   88.214   82.222
LGA    K    66_A      K    66_A     0.545     0    0.095   0.801     2.252   95.238   86.878
LGA    L    67_A      L    67_A     0.537     0    0.018   0.029     0.645   90.476   90.476
LGA    S    68_A      S    68_A     0.566     0    0.035   0.045     0.699   97.619   95.238
LGA    A    69_A      A    69_A     0.192     0    0.018   0.021     0.323  100.000  100.000
LGA    D    70_A      D    70_A     0.473     0    0.032   0.152     1.496  100.000   92.976
LGA    D    71_A      D    71_A     0.244     0    0.026   0.260     0.653  100.000   97.619
LGA    I    72_A      I    72_A     0.205     0    0.016   0.058     0.336  100.000  100.000
LGA    A    73_A      A    73_A     0.197     0    0.015   0.028     0.203  100.000  100.000
LGA    D    74_A      D    74_A     0.224     0    0.007   0.044     0.224  100.000  100.000
LGA    V    75_A      V    75_A     0.247     0    0.049   0.883     2.053  100.000   89.728
LGA    A    76_A      A    76_A     0.187     0    0.010   0.017     0.210  100.000  100.000
LGA    S    77_A      S    77_A     0.175     0    0.008   0.026     0.255  100.000  100.000
LGA    Y    78_A      Y    78_A     0.233     0    0.042   0.036     0.390  100.000  100.000
LGA    V    79_A      V    79_A     0.174     0    0.019   0.046     0.225  100.000  100.000
LGA    L    80_A      L    80_A     0.196     0    0.009   0.105     0.594  100.000   98.810
LGA    D    81_A      D    81_A     0.158     0    0.014   0.067     0.238  100.000  100.000
LGA    Q    82_A      Q    82_A     0.190     0    0.008   0.040     0.341  100.000  100.000
LGA    S    83_A      S    83_A     0.155     0    0.033   0.043     0.248  100.000  100.000
LGA    E    84_A      E    84_A     0.136     0    0.025   0.884     4.228  100.000   83.492
LGA    K    85_A      K    85_A     0.291     0    0.130   0.112     0.645   97.619   98.942
LGA    G    86_A      G    86_A     0.862     0    0.423   0.423     2.706   79.881   79.881
LGA    W    87_A      W    87_A     0.684     0    0.124   1.178     6.463   81.786   61.667
LGA    Q    88_A      Q    88_A     2.546     0    0.682   1.100     9.272   59.524   36.561
LGA    G    89_A      G    89_A     1.568     0    0.529   0.529     5.249   55.476   55.476

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       89     356    356  100.00     636    636  100.00                89
SUMMARY(RMSD_GDC):     0.825          0.863                  1.370           94.070   90.891

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     89    0.83    98.034    99.074     9.621

LGA_LOCAL      RMSD:   0.825  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.825  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   0.825  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.467774 * X  +  -0.775818 * Y  +   0.423430 * Z  +   4.201898
  Y_new =  -0.794923 * X  +  -0.159862 * Y  +   0.585271 * Z  + -22.630690
  Z_new =  -0.386373 * X  +  -0.610369 * Y  +  -0.691495 * Z  +  11.828724 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.038911  0.396696 -2.418430   [DEG:  -59.5252   22.7290 -138.5658 ]
ZXZ:  2.515283  2.334353 -2.577250   [DEG:  144.1151  133.7486 -147.6655 ]
 
# END of job
