
#######################################################
#                                                     #
#                        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 (  608),  selected   84 , name one
# Molecule2: number of CA atoms   89 (  636),  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        0.53     0.53
  LCS_AVERAGE:     94.38

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       4_A - 87_A        0.53     0.53
  LCS_AVERAGE:     94.38

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       4_A - 87_A        0.53     0.53
  LCS_AVERAGE:     94.38

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     61   80   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     47   80   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     17   80   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     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     G     9_A     G     9_A     84   84   84     41   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     Q    10_A     Q    10_A     84   84   84     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     V    11_A     V    11_A     84   84   84     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     S    13_A     S    13_A     84   84   84     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     A    14_A     A    14_A     84   84   84     61   80   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     61   80   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     61   80   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     61   80   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     49   80   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     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     L    21_A     L    21_A     84   84   84     61   80   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     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     R    24_A     R    24_A     84   84   84     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     V    26_A     V    26_A     84   84   84     52   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     V    27_A     V    27_A     84   84   84     33   80   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     29   80   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     29   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     A    30_A     A    30_A     84   84   84     61   80   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     61   80   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     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     Q    34_A     Q    34_A     84   84   84     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     K    35_A     K    35_A     84   84   84     47   80   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     37   80   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     41   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     D    39_A     D    39_A     84   84   84     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     Q    40_A     Q    40_A     84   84   84     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     Y    41_A     Y    41_A     84   84   84     60   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     M    43_A     M    43_A     84   84   84     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     A    44_A     A    44_A     84   84   84     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     I    46_A     I    46_A     84   84   84     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     E    47_A     E    47_A     84   84   84     29   80   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     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     T    50_A     T    50_A     84   84   84     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     T    51_A     T    51_A     84   84   84     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     V    53_A     V    53_A     84   84   84     61   80   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     61   80   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     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     K    57_A     K    57_A     84   84   84     61   80   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     61   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     60   80   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     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     A    62_A     A    62_A     84   84   84     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     G    64_A     G    64_A     84   84   84      4   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     S    65_A     S    65_A     84   84   84      4   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     K    66_A     K    66_A     84   84   84     50   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     L    67_A     L    67_A     84   84   84     59   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     A    69_A     A    69_A     84   84   84     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     D    70_A     D    70_A     84   84   84     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     I    72_A     I    72_A     84   84   84     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     A    73_A     A    73_A     84   84   84     61   80   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     61   80   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     61   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     S    77_A     S    77_A     84   84   84     61   80   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     61   80   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     61   80   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     61   80   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     57   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_GDT     S    83_A     S    83_A     84   84   84     61   80   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     15   74   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      7   48   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     29   80   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     61   80   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84   84 
LCS_AVERAGE  LCS_A:  94.38  (  94.38   94.38   94.38 )

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     61     80     84     84     84     84     84     84     84     84     84     84     84     84     84     84     84     84     84     84 
GDT PERCENT_AT  68.54  89.89  94.38  94.38  94.38  94.38  94.38  94.38  94.38  94.38  94.38  94.38  94.38  94.38  94.38  94.38  94.38  94.38  94.38  94.38
GDT RMS_LOCAL    0.34   0.47   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53
GDT RMS_ALL_AT   0.54   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53   0.53

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     4_A      D     4_A     0.368     0    0.177   0.975     3.129   95.238   85.536
LGA    L     5_A      L     5_A     0.607     0    0.025   1.437     4.005   92.857   77.619
LGA    A     6_A      A     6_A     1.051     0    0.025   0.035     1.540   88.214   85.143
LGA    H     7_A      H     7_A     0.398     0    0.083   0.217     0.922   97.619   94.286
LGA    G     8_A      G     8_A     0.318     0    0.030   0.030     0.535   97.619   97.619
LGA    G     9_A      G     9_A     0.677     0    0.039   0.039     0.677   92.857   92.857
LGA    Q    10_A      Q    10_A     0.389     0    0.033   0.402     1.788  100.000   93.810
LGA    V    11_A      V    11_A     0.341     0    0.020   0.098     0.493  100.000  100.000
LGA    F    12_A      F    12_A     0.297     0    0.030   0.082     0.350  100.000  100.000
LGA    S    13_A      S    13_A     0.319     0    0.026   0.052     0.470  100.000  100.000
LGA    A    14_A      A    14_A     0.282     0    0.115   0.116     0.928   97.619   98.095
LGA    N    15_A      N    15_A     0.334     0    0.097   0.161     1.073   92.976   96.488
LGA    C    16_A      C    16_A     0.299     0    0.044   0.163     0.533  100.000   98.413
LGA    A    17_A      A    17_A     0.239     0    0.092   0.086     0.551   97.619   98.095
LGA    A    18_A      A    18_A     0.656     0    0.102   0.098     1.075   90.595   90.571
LGA    C    19_A      C    19_A     0.243     0    0.104   0.104     0.509  100.000   98.413
LGA    H    20_A      H    20_A     0.116     0    0.086   0.206     0.558  100.000   98.095
LGA    L    21_A      L    21_A     0.319     0    0.084   0.953     4.249  100.000   78.929
LGA    G    22_A      G    22_A     0.109     0    0.027   0.027     0.266  100.000  100.000
LGA    G    23_A      G    23_A     0.311     0    0.044   0.044     0.311  100.000  100.000
LGA    R    24_A      R    24_A     0.302     0    0.065   0.729     4.911  100.000   73.680
LGA    N    25_A      N    25_A     0.079     0    0.085   0.823     2.688  100.000   87.738
LGA    V    26_A      V    26_A     0.629     0    0.069   1.172     3.181   92.857   82.381
LGA    V    27_A      V    27_A     0.699     0    0.059   1.052     2.922   90.476   82.041
LGA    N    28_A      N    28_A     0.817     0    0.024   0.236     1.126   90.476   89.345
LGA    P    29_A      P    29_A     0.880     0    0.153   0.333     2.752   88.214   80.612
LGA    A    30_A      A    30_A     0.519     0    0.097   0.095     1.219   90.595   90.571
LGA    K    31_A      K    31_A     0.421     0    0.179   0.737     1.509   97.619   90.688
LGA    T    32_A      T    32_A     0.222     0    0.040   0.056     0.370  100.000  100.000
LGA    L    33_A      L    33_A     0.152     0    0.093   0.188     0.478  100.000  100.000
LGA    Q    34_A      Q    34_A     0.304     0    0.015   0.858     3.234   97.619   90.265
LGA    K    35_A      K    35_A     0.636     0    0.058   1.204     5.599   90.476   72.169
LGA    A    36_A      A    36_A     0.907     0    0.041   0.042     0.972   90.476   90.476
LGA    D    37_A      D    37_A     0.717     0    0.024   0.403     2.164   90.476   87.321
LGA    L    38_A      L    38_A     0.268     0    0.039   0.053     0.504  100.000   98.810
LGA    D    39_A      D    39_A     0.110     0    0.024   0.143     0.426  100.000  100.000
LGA    Q    40_A      Q    40_A     0.229     0    0.026   0.697     3.374  100.000   81.005
LGA    Y    41_A      Y    41_A     0.489     0    0.195   0.230     1.849   97.619   86.190
LGA    G    42_A      G    42_A     0.459     0    0.088   0.088     0.507   97.619   97.619
LGA    M    43_A      M    43_A     0.361     0    0.129   0.925     1.999   95.238   86.250
LGA    A    44_A      A    44_A     0.568     0    0.244   0.242     1.883   88.452   88.857
LGA    S    45_A      S    45_A     0.428     0    0.029   0.564     1.285  100.000   95.317
LGA    I    46_A      I    46_A     0.566     0    0.040   0.719     2.884   90.476   86.310
LGA    E    47_A      E    47_A     0.851     0    0.076   0.475     4.279   90.476   75.026
LGA    A    48_A      A    48_A     0.540     0    0.017   0.027     0.594   90.476   90.476
LGA    I    49_A      I    49_A     0.507     0    0.018   0.640     2.315   90.476   87.262
LGA    T    50_A      T    50_A     0.521     0    0.033   1.055     2.585   95.238   87.143
LGA    T    51_A      T    51_A     0.447     0    0.019   0.994     2.807  100.000   88.639
LGA    Q    52_A      Q    52_A     0.400     0    0.029   0.936     1.871  100.000   89.894
LGA    V    53_A      V    53_A     0.407     0    0.039   0.128     0.747  100.000   95.918
LGA    T    54_A      T    54_A     0.568     0    0.052   0.106     0.737   90.476   90.476
LGA    N    55_A      N    55_A     0.592     0    0.114   0.129     0.915   95.238   92.857
LGA    G    56_A      G    56_A     0.298     0    0.061   0.061     0.514   95.238   95.238
LGA    K    57_A      K    57_A     0.325     0    0.025   0.112     0.460  100.000  100.000
LGA    G    58_A      G    58_A     0.421     0    0.028   0.028     0.428  100.000  100.000
LGA    A    59_A      A    59_A     0.553     0    0.132   0.129     1.043   97.619   94.381
LGA    M    60_A      M    60_A     0.361     0    0.020   0.180     1.033  100.000   95.298
LGA    P    61_A      P    61_A     0.233     0    0.038   0.075     0.405  100.000  100.000
LGA    A    62_A      A    62_A     0.242     0    0.045   0.063     0.413  100.000  100.000
LGA    F    63_A      F    63_A     0.209     0    0.060   0.215     0.959  100.000   93.939
LGA    G    64_A      G    64_A     1.119     0    0.675   0.675     3.877   74.405   74.405
LGA    S    65_A      S    65_A     1.204     0    0.078   0.677     3.251   81.429   76.190
LGA    K    66_A      K    66_A     0.680     0    0.127   0.653     2.294   90.476   84.762
LGA    L    67_A      L    67_A     0.564     0    0.025   0.072     0.743   90.476   90.476
LGA    S    68_A      S    68_A     0.418     0    0.052   0.587     2.119   97.619   92.540
LGA    A    69_A      A    69_A     0.384     0    0.077   0.091     0.459  100.000  100.000
LGA    D    70_A      D    70_A     0.238     0    0.036   0.287     1.737  100.000   95.417
LGA    D    71_A      D    71_A     0.397     0    0.023   0.123     1.051  100.000   94.107
LGA    I    72_A      I    72_A     0.161     0    0.021   0.125     0.623  100.000   98.810
LGA    A    73_A      A    73_A     0.306     0    0.041   0.061     0.500  100.000  100.000
LGA    D    74_A      D    74_A     0.432     0    0.028   0.144     0.902  100.000   98.810
LGA    V    75_A      V    75_A     0.325     0    0.022   0.119     0.629  100.000   98.639
LGA    A    76_A      A    76_A     0.293     0    0.050   0.062     0.472  100.000  100.000
LGA    S    77_A      S    77_A     0.391     0    0.024   0.714     2.323  100.000   94.127
LGA    Y    78_A      Y    78_A     0.054     0    0.045   0.057     0.208  100.000  100.000
LGA    V    79_A      V    79_A     0.150     0    0.047   0.130     0.488  100.000  100.000
LGA    L    80_A      L    80_A     0.358     0    0.050   1.002     3.701   97.619   87.143
LGA    D    81_A      D    81_A     0.469     0    0.016   0.739     1.914  100.000   91.905
LGA    Q    82_A      Q    82_A     0.303     0    0.047   1.068     2.722  100.000   91.164
LGA    S    83_A      S    83_A     0.444     0    0.020   0.592     2.693   95.238   88.095
LGA    E    84_A      E    84_A     1.178     0    0.038   0.246     2.903   83.690   73.280
LGA    K    85_A      K    85_A     1.427     0    0.088   0.907     4.124   81.429   63.598
LGA    G    86_A      G    86_A     0.979     0    0.557   0.557     3.616   76.429   76.429
LGA    W    87_A      W    87_A     0.352     0    0.656   0.421     1.788   90.833   97.381

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       84     336    336  100.00     608    608  100.00                89
SUMMARY(RMSD_GDC):     0.531          0.625                  1.123           90.301   86.129

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   84   89    4.0     84    0.53    93.258    94.027    13.309

LGA_LOCAL      RMSD:   0.531  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.531  Number of assigned atoms:   84 
Std_ASGN_ATOMS RMSD:   0.531  Standard rmsd on all 84 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.366231 * X  +   0.813158 * Y  +   0.452381 * Z  + -24.044262
  Y_new =  -0.258090 * X  +   0.378317 * Y  +  -0.888969 * Z  +   2.669309
  Z_new =  -0.894016 * X  +  -0.442324 * Y  +   0.071317 * Z  +  20.498413 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.527706  1.106229 -1.410940   [DEG: -144.8269   63.3823  -80.8409 ]
ZXZ:  0.470729  1.499419 -2.030243   [DEG:   26.9708   85.9104 -116.3244 ]
 
# END of job
