
#######################################################
#                                                     #
#                        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        1.07     1.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        1.07     1.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       1_A - 88_A        0.82     1.08
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        0.97     1.07
  LCS_AVERAGE:     98.88

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     88   89   89      3    3    5   23   69   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S     2_A     S     2_A     88   89   89      3    3    5    6    6   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     88   89   89     41   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     88   89   89     67   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     88   89   89     71   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     88   89   89     54   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     88   89   89     71   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     88   89   89     37   82   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     88   89   89     37   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     88   89   89     52   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     88   89   89     52   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     88   89   89     52   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     88   89   89     71   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     88   89   89     45   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     88   89   89     32   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     88   89   89     72   84   85   85   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     88   89   89      3    6    7   78   86   87   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A     88   89   89      3    3    3   13   23   30   41   69   83   89   89   89   89   89   89   89   89   89   89   89 
LCS_AVERAGE  LCS_A:  99.63  (  98.88  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     72     84     85     85     86     87     87     88     88     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  80.90  94.38  95.51  95.51  96.63  97.75  97.75  98.88  98.88 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.39   0.41   0.41   0.54   0.68   0.68   0.82   0.82   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07
GDT RMS_ALL_AT   1.09   1.09   1.09   1.09   1.08   1.08   1.08   1.08   1.08   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07

# Checking swapping
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  E    84_A      E    84_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     4.238     0    0.081   0.081     4.269   53.214   53.214
LGA    S     2_A      S     2_A     3.794     0    0.024   0.644     7.520   45.238   34.206
LGA    A     3_A      A     3_A     0.902     0    0.390   0.407     1.927   88.214   85.143
LGA    D     4_A      D     4_A     0.244     0    0.039   0.065     0.765  100.000   98.810
LGA    L     5_A      L     5_A     0.248     0    0.078   0.080     0.470  100.000  100.000
LGA    A     6_A      A     6_A     0.595     0    0.052   0.061     0.870   97.619   96.190
LGA    H     7_A      H     7_A     0.415     0    0.054   0.289     0.822  100.000   97.143
LGA    G     8_A      G     8_A     0.197     0    0.021   0.021     0.319  100.000  100.000
LGA    G     9_A      G     9_A     0.195     0    0.028   0.028     0.200  100.000  100.000
LGA    Q    10_A      Q    10_A     0.218     0    0.037   0.191     0.564  100.000   97.884
LGA    V    11_A      V    11_A     0.247     0    0.030   0.035     0.339  100.000  100.000
LGA    F    12_A      F    12_A     0.124     0    0.015   0.038     0.280  100.000  100.000
LGA    S    13_A      S    13_A     0.253     0    0.018   0.614     1.726  100.000   95.476
LGA    A    14_A      A    14_A     0.376     0    0.040   0.062     0.583   97.619   98.095
LGA    N    15_A      N    15_A     0.440     0    0.032   0.066     0.712   97.619   95.238
LGA    C    16_A      C    16_A     0.151     0    0.045   0.093     0.464  100.000  100.000
LGA    A    17_A      A    17_A     0.234     0    0.077   0.087     0.403  100.000  100.000
LGA    A    18_A      A    18_A     0.461     0    0.023   0.027     0.609  100.000   98.095
LGA    C    19_A      C    19_A     0.225     0    0.018   0.042     0.523  100.000   98.413
LGA    H    20_A      H    20_A     0.079     0    0.041   0.112     0.718  100.000   98.095
LGA    L    21_A      L    21_A     0.216     0    0.027   0.130     0.506  100.000   97.619
LGA    G    22_A      G    22_A     0.398     0    0.101   0.101     0.713   97.619   97.619
LGA    G    23_A      G    23_A     0.266     0    0.021   0.021     0.309  100.000  100.000
LGA    R    24_A      R    24_A     0.243     0    0.029   1.233     6.734  100.000   76.797
LGA    N    25_A      N    25_A     0.238     0    0.033   0.064     0.398  100.000  100.000
LGA    V    26_A      V    26_A     0.564     0    0.018   0.031     0.744   92.857   91.837
LGA    V    27_A      V    27_A     0.707     0    0.017   0.060     0.926   90.476   90.476
LGA    N    28_A      N    28_A     0.433     0    0.028   0.072     0.635   97.619   95.238
LGA    P    29_A      P    29_A     0.497     0    0.030   0.037     0.837   97.619   94.558
LGA    A    30_A      A    30_A     0.585     0    0.087   0.082     0.901   92.857   92.381
LGA    K    31_A      K    31_A     0.482     0    0.034   0.181     1.572   97.619   90.688
LGA    T    32_A      T    32_A     0.296     0    0.022   0.074     0.398  100.000  100.000
LGA    L    33_A      L    33_A     0.092     0    0.032   0.093     0.318  100.000  100.000
LGA    Q    34_A      Q    34_A     0.039     0    0.037   0.912     3.941  100.000   85.026
LGA    K    35_A      K    35_A     0.249     0    0.021   0.432     2.586  100.000   90.053
LGA    A    36_A      A    36_A     0.290     0    0.047   0.056     0.473  100.000  100.000
LGA    D    37_A      D    37_A     0.328     0    0.007   0.132     0.676  100.000   98.810
LGA    L    38_A      L    38_A     0.265     0    0.030   0.125     0.405  100.000  100.000
LGA    D    39_A      D    39_A     0.249     0    0.025   0.192     0.651  100.000   98.810
LGA    Q    40_A      Q    40_A     0.414     0    0.042   0.068     1.130   95.238   91.587
LGA    Y    41_A      Y    41_A     0.449     0    0.028   0.057     0.576   97.619   95.238
LGA    G    42_A      G    42_A     0.388     0    0.024   0.024     0.388  100.000  100.000
LGA    M    43_A      M    43_A     0.279     0    0.055   0.103     0.469  100.000  100.000
LGA    A    44_A      A    44_A     0.497     0    0.023   0.034     0.580  100.000   98.095
LGA    S    45_A      S    45_A     0.313     0    0.054   0.049     0.349  100.000  100.000
LGA    I    46_A      I    46_A     0.265     0    0.025   0.647     1.849  100.000   95.417
LGA    E    47_A      E    47_A     0.494     0    0.062   0.838     4.499  100.000   75.079
LGA    A    48_A      A    48_A     0.251     0    0.020   0.030     0.317  100.000  100.000
LGA    I    49_A      I    49_A     0.257     0    0.023   0.032     0.312  100.000  100.000
LGA    T    50_A      T    50_A     0.336     0    0.055   1.120     2.419  100.000   89.728
LGA    T    51_A      T    51_A     0.368     0    0.010   0.054     0.618  100.000   97.279
LGA    Q    52_A      Q    52_A     0.279     0    0.030   0.566     1.448  100.000   94.762
LGA    V    53_A      V    53_A     0.076     0    0.030   0.050     0.155  100.000  100.000
LGA    T    54_A      T    54_A     0.219     0    0.044   0.097     0.412  100.000  100.000
LGA    N    55_A      N    55_A     0.211     0    0.022   0.125     0.582  100.000   98.810
LGA    G    56_A      G    56_A     0.099     0    0.040   0.040     0.332  100.000  100.000
LGA    K    57_A      K    57_A     0.573     0    0.070   0.184     0.948   92.857   91.534
LGA    G    58_A      G    58_A     1.218     0    0.069   0.069     1.218   83.690   83.690
LGA    A    59_A      A    59_A     0.866     0    0.048   0.061     0.981   90.476   90.476
LGA    M    60_A      M    60_A     0.672     0    0.025   0.210     0.716   90.476   92.857
LGA    P    61_A      P    61_A     0.788     0    0.030   0.142     1.058   90.476   89.184
LGA    A    62_A      A    62_A     0.758     0    0.121   0.142     1.303   88.214   88.667
LGA    F    63_A      F    63_A     0.146     0    0.082   0.118     0.545  100.000   98.268
LGA    G    64_A      G    64_A     0.155     0    0.035   0.035     0.473  100.000  100.000
LGA    S    65_A      S    65_A     0.733     0    0.087   0.678     2.995   90.595   83.492
LGA    K    66_A      K    66_A     0.411     0    0.054   0.719     2.510  100.000   91.323
LGA    L    67_A      L    67_A     0.405     0    0.005   0.055     0.533   97.619   98.810
LGA    S    68_A      S    68_A     0.465     0    0.018   0.064     0.578  100.000   96.825
LGA    A    69_A      A    69_A     0.233     0    0.021   0.022     0.301  100.000  100.000
LGA    D    70_A      D    70_A     0.302     0    0.085   0.346     1.542  100.000   95.417
LGA    D    71_A      D    71_A     0.229     0    0.028   0.124     0.552  100.000   98.810
LGA    I    72_A      I    72_A     0.276     0    0.010   0.053     0.393  100.000  100.000
LGA    A    73_A      A    73_A     0.168     0    0.012   0.017     0.215  100.000  100.000
LGA    D    74_A      D    74_A     0.141     0    0.045   0.061     0.265  100.000  100.000
LGA    V    75_A      V    75_A     0.204     0    0.017   0.030     0.362  100.000  100.000
LGA    A    76_A      A    76_A     0.371     0    0.017   0.022     0.496  100.000  100.000
LGA    S    77_A      S    77_A     0.401     0    0.017   0.053     0.650  100.000   96.825
LGA    Y    78_A      Y    78_A     0.254     0    0.029   0.040     0.306  100.000  100.000
LGA    V    79_A      V    79_A     0.260     0    0.027   0.047     0.416  100.000  100.000
LGA    L    80_A      L    80_A     0.223     0    0.054   0.119     0.664  100.000   98.810
LGA    D    81_A      D    81_A     0.154     0    0.020   0.165     0.926  100.000   96.429
LGA    Q    82_A      Q    82_A     0.359     0    0.025   0.205     0.657  100.000   97.884
LGA    S    83_A      S    83_A     0.132     0    0.021   0.525     2.015  100.000   94.127
LGA    E    84_A      E    84_A     0.579     0    0.013   0.980     4.647   92.857   76.772
LGA    K    85_A      K    85_A     1.073     0    0.150   0.173     1.779   81.548   85.503
LGA    G    86_A      G    86_A     0.958     0    0.463   0.463     3.107   78.095   78.095
LGA    W    87_A      W    87_A     0.409     0    0.557   0.404     1.848   88.452   94.660
LGA    Q    88_A      Q    88_A     3.273     0    0.158   0.674     7.041   38.929   31.640
LGA    G    89_A      G    89_A     6.685     0    0.688   0.688     8.222   12.262   12.262

# 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):     1.069          1.131                  1.282           95.007   92.632

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     88    0.82    97.191    98.305     9.583

LGA_LOCAL      RMSD:   0.818  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.079  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   1.069  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.609662 * X  +  -0.757529 * Y  +   0.233372 * Z  +  -1.758175
  Y_new =  -0.721954 * X  +   0.652218 * Y  +   0.231071 * Z  + -15.419785
  Z_new =  -0.327252 * X  +  -0.027609 * Y  +  -0.944534 * Z  +   3.149773 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.272066  0.333394 -3.112371   [DEG: -130.1798   19.1021 -178.3257 ]
ZXZ:  2.351240  2.806968 -1.654962   [DEG:  134.7162  160.8274  -94.8223 ]
 
# END of job
