
#######################################################
#                                                     #
#                        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        1.05     1.05
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        1.05     1.05
  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     1.06
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        0.95     1.05
  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   27   77   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   86   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     54   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     62   84   85   85   86   86   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     36   84   85   85   86   86   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     69   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     66   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     69   84   85   85   86   86   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     31   83   85   85   86   86   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     40   84   85   85   86   86   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     64   84   85   85   86   86   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     62   84   85   85   86   86   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     65   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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     71   84   85   85   86   86   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   86   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     40   84   85   85   86   86   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     31   84   85   85   86   86   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     71   84   85   85   86   86   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    9   82   86   86   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    4    4   27   36   44   85   87   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     71     84     85     85     86     86     87     88     88     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  79.78  94.38  95.51  95.51  96.63  96.63  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    0.28   0.39   0.41   0.41   0.54   0.54   0.69   0.82   0.82   1.05   1.05   1.05   1.05   1.05   1.05   1.05   1.05   1.05   1.05   1.05
GDT RMS_ALL_AT   1.07   1.07   1.07   1.07   1.06   1.06   1.06   1.06   1.06   1.05   1.05   1.05   1.05   1.05   1.05   1.05   1.05   1.05   1.05   1.05

# 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     4.169     0    0.114   0.114     4.169   54.762   54.762
LGA    S     2_A      S     2_A     4.046     0    0.031   0.687     6.650   42.143   33.175
LGA    A     3_A      A     3_A     0.773     0    0.391   0.408     1.909   88.214   85.143
LGA    D     4_A      D     4_A     0.312     0    0.037   0.061     0.651   97.619   97.619
LGA    L     5_A      L     5_A     0.286     0    0.082   0.071     0.534  100.000   98.810
LGA    A     6_A      A     6_A     0.639     0    0.050   0.059     0.904   92.857   92.381
LGA    H     7_A      H     7_A     0.481     0    0.058   1.157     2.287   97.619   87.429
LGA    G     8_A      G     8_A     0.236     0    0.022   0.022     0.375  100.000  100.000
LGA    G     9_A      G     9_A     0.234     0    0.035   0.035     0.234  100.000  100.000
LGA    Q    10_A      Q    10_A     0.256     0    0.037   0.128     0.583  100.000   98.942
LGA    V    11_A      V    11_A     0.267     0    0.033   0.036     0.336  100.000  100.000
LGA    F    12_A      F    12_A     0.146     0    0.017   0.055     0.255  100.000  100.000
LGA    S    13_A      S    13_A     0.199     0    0.015   0.647     1.856  100.000   95.476
LGA    A    14_A      A    14_A     0.312     0    0.046   0.069     0.546   97.619   98.095
LGA    N    15_A      N    15_A     0.410     0    0.030   0.058     0.634   97.619   96.429
LGA    C    16_A      C    16_A     0.172     0    0.048   0.097     0.521  100.000   98.413
LGA    A    17_A      A    17_A     0.218     0    0.082   0.092     0.449  100.000  100.000
LGA    A    18_A      A    18_A     0.521     0    0.027   0.034     0.658   97.619   96.190
LGA    C    19_A      C    19_A     0.239     0    0.018   0.049     0.489  100.000  100.000
LGA    H    20_A      H    20_A     0.069     0    0.055   0.118     0.658  100.000   98.095
LGA    L    21_A      L    21_A     0.239     0    0.041   0.127     0.632  100.000   97.619
LGA    G    22_A      G    22_A     0.372     0    0.100   0.100     0.617   97.619   97.619
LGA    G    23_A      G    23_A     0.247     0    0.010   0.010     0.312  100.000  100.000
LGA    R    24_A      R    24_A     0.244     0    0.042   1.209     4.236  100.000   85.281
LGA    N    25_A      N    25_A     0.236     0    0.038   0.063     0.443  100.000  100.000
LGA    V    26_A      V    26_A     0.642     0    0.026   0.041     0.912   92.857   91.837
LGA    V    27_A      V    27_A     0.796     0    0.016   0.046     1.121   90.476   87.891
LGA    N    28_A      N    28_A     0.525     0    0.024   0.058     0.820   95.238   92.857
LGA    P    29_A      P    29_A     0.484     0    0.038   0.039     0.674   97.619   95.918
LGA    A    30_A      A    30_A     0.623     0    0.064   0.059     0.866   90.476   90.476
LGA    K    31_A      K    31_A     0.538     0    0.055   0.142     1.321   92.857   90.529
LGA    T    32_A      T    32_A     0.309     0    0.021   0.076     0.341  100.000  100.000
LGA    L    33_A      L    33_A     0.075     0    0.017   0.089     0.339  100.000  100.000
LGA    Q    34_A      Q    34_A     0.079     0    0.034   0.944     4.238  100.000   83.492
LGA    K    35_A      K    35_A     0.277     0    0.018   0.438     2.618  100.000   88.995
LGA    A    36_A      A    36_A     0.329     0    0.051   0.061     0.521  100.000   98.095
LGA    D    37_A      D    37_A     0.355     0    0.011   0.129     0.779  100.000   98.810
LGA    L    38_A      L    38_A     0.277     0    0.032   0.128     0.375  100.000  100.000
LGA    D    39_A      D    39_A     0.244     0    0.027   0.127     0.405  100.000  100.000
LGA    Q    40_A      Q    40_A     0.463     0    0.042   0.071     1.250   95.238   90.582
LGA    Y    41_A      Y    41_A     0.491     0    0.032   0.095     0.655   97.619   94.444
LGA    G    42_A      G    42_A     0.437     0    0.028   0.028     0.437  100.000  100.000
LGA    M    43_A      M    43_A     0.338     0    0.071   0.101     0.579  100.000   98.810
LGA    A    44_A      A    44_A     0.480     0    0.021   0.034     0.521  100.000   98.095
LGA    S    45_A      S    45_A     0.346     0    0.051   0.046     0.397  100.000  100.000
LGA    I    46_A      I    46_A     0.246     0    0.025   0.057     0.320  100.000  100.000
LGA    E    47_A      E    47_A     0.606     0    0.076   0.205     3.194   97.619   78.783
LGA    A    48_A      A    48_A     0.345     0    0.021   0.029     0.415  100.000  100.000
LGA    I    49_A      I    49_A     0.295     0    0.022   0.036     0.376  100.000  100.000
LGA    T    50_A      T    50_A     0.365     0    0.042   1.124     2.463  100.000   89.728
LGA    T    51_A      T    51_A     0.434     0    0.009   0.042     0.724  100.000   95.918
LGA    Q    52_A      Q    52_A     0.367     0    0.024   0.710     2.082  100.000   91.905
LGA    V    53_A      V    53_A     0.114     0    0.040   0.054     0.215  100.000  100.000
LGA    T    54_A      T    54_A     0.191     0    0.046   0.085     0.377  100.000  100.000
LGA    N    55_A      N    55_A     0.132     0    0.022   0.130     0.531  100.000   98.810
LGA    G    56_A      G    56_A     0.156     0    0.043   0.043     0.344  100.000  100.000
LGA    K    57_A      K    57_A     0.636     0    0.044   0.166     1.596   92.857   86.561
LGA    G    58_A      G    58_A     1.221     0    0.065   0.065     1.221   81.429   81.429
LGA    A    59_A      A    59_A     0.779     0    0.048   0.060     0.904   90.476   90.476
LGA    M    60_A      M    60_A     0.525     0    0.026   0.165     0.592   95.238   97.619
LGA    P    61_A      P    61_A     0.616     0    0.027   0.157     0.913   90.476   90.476
LGA    A    62_A      A    62_A     0.565     0    0.076   0.089     0.888   90.476   90.476
LGA    F    63_A      F    63_A     0.100     0    0.078   0.111     0.530  100.000   99.134
LGA    G    64_A      G    64_A     0.232     0    0.039   0.039     0.452  100.000  100.000
LGA    S    65_A      S    65_A     0.587     0    0.064   0.641     2.773   90.595   85.000
LGA    K    66_A      K    66_A     0.320     0    0.051   0.749     2.709  100.000   90.476
LGA    L    67_A      L    67_A     0.325     0    0.007   0.063     0.470  100.000  100.000
LGA    S    68_A      S    68_A     0.409     0    0.019   0.065     0.522  100.000   96.825
LGA    A    69_A      A    69_A     0.237     0    0.019   0.021     0.325  100.000  100.000
LGA    D    70_A      D    70_A     0.339     0    0.085   0.272     1.442  100.000   96.488
LGA    D    71_A      D    71_A     0.255     0    0.027   0.191     0.668  100.000   97.619
LGA    I    72_A      I    72_A     0.271     0    0.011   0.066     0.387  100.000  100.000
LGA    A    73_A      A    73_A     0.201     0    0.012   0.016     0.232  100.000  100.000
LGA    D    74_A      D    74_A     0.151     0    0.035   0.062     0.443  100.000  100.000
LGA    V    75_A      V    75_A     0.233     0    0.017   0.035     0.394  100.000  100.000
LGA    A    76_A      A    76_A     0.407     0    0.015   0.022     0.518   97.619   98.095
LGA    S    77_A      S    77_A     0.388     0    0.020   0.050     0.672  100.000   98.413
LGA    Y    78_A      Y    78_A     0.269     0    0.023   0.041     0.348  100.000  100.000
LGA    V    79_A      V    79_A     0.301     0    0.022   0.043     0.446  100.000  100.000
LGA    L    80_A      L    80_A     0.256     0    0.052   0.123     0.645  100.000   98.810
LGA    D    81_A      D    81_A     0.196     0    0.017   0.164     0.986  100.000   96.429
LGA    Q    82_A      Q    82_A     0.366     0    0.018   0.185     0.670  100.000   98.942
LGA    S    83_A      S    83_A     0.120     0    0.020   0.528     2.045  100.000   94.127
LGA    E    84_A      E    84_A     0.520     0    0.012   0.898     4.619   92.857   76.772
LGA    K    85_A      K    85_A     1.026     0    0.150   0.183     1.734   81.548   85.503
LGA    G    86_A      G    86_A     0.993     0    0.466   0.466     3.132   78.095   78.095
LGA    W    87_A      W    87_A     0.442     0    0.546   0.393     1.849   88.452   96.701
LGA    Q    88_A      Q    88_A     3.183     0    0.180   0.671     7.148   40.833   32.487
LGA    G    89_A      G    89_A     6.328     0    0.674   0.674     7.161   17.976   17.976

# 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):     1.049          1.075                  1.206           94.861   92.611

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     88    0.82    97.191    98.236     9.530

LGA_LOCAL      RMSD:   0.823  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.058  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   1.049  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.041525 * X  +  -0.956184 * Y  +   0.289807 * Z  +  -2.300615
  Y_new =   0.994373 * X  +  -0.067845 * Y  +  -0.081365 * Z  + -14.633610
  Z_new =   0.097462 * X  +   0.284798 * Y  +   0.953620 * Z  +   2.216499 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.612532 -0.097617  0.290217   [DEG:   92.3913   -5.5930   16.6282 ]
ZXZ:  1.297088  0.305754  0.329721   [DEG:   74.3177   17.5184   18.8916 ]
 
# END of job
