
#######################################################
#                                                     #
#                        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        1.00     1.00
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        1.00     1.00
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        1.00     1.00
  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      4    4    5    5   54   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S     2_A     S     2_A     89   89   89      4    4    5    5    6   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     89   89   89     54   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     89   89   89     72   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     89   89   89     74   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     89   89   89     35   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     89   89   89     57   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     89   89   89     74   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     89   89   89     65   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     89   89   89     74   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     89   89   89     41   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     89   89   89     41   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     89   89   89     75   85   85   85   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     89   89   89      0    6   27   84   86   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A     89   89   89      2    3    3   12   34   46   55   88   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     75     85     85     85     86     86     87     88     89     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  84.27  95.51  95.51  95.51  96.63  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
GDT RMS_LOCAL    0.28   0.37   0.37   0.37   0.51   0.51   0.66   0.83   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00
GDT RMS_ALL_AT   1.02   1.02   1.02   1.02   1.01   1.01   1.01   1.01   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00   1.00

# 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     4.700     0    0.050   0.050     4.922   48.214   48.214
LGA    S     2_A      S     2_A     3.932     0    0.025   0.633     7.600   43.690   32.540
LGA    A     3_A      A     3_A     0.742     0    0.377   0.392     1.675   88.214   85.143
LGA    D     4_A      D     4_A     0.237     0    0.033   0.055     0.783  100.000   98.810
LGA    L     5_A      L     5_A     0.246     0    0.079   0.087     0.485  100.000  100.000
LGA    A     6_A      A     6_A     0.553     0    0.055   0.065     0.794   97.619   96.190
LGA    H     7_A      H     7_A     0.430     0    0.056   0.116     0.518  100.000   97.143
LGA    G     8_A      G     8_A     0.232     0    0.021   0.021     0.347  100.000  100.000
LGA    G     9_A      G     9_A     0.212     0    0.033   0.033     0.212  100.000  100.000
LGA    Q    10_A      Q    10_A     0.241     0    0.035   0.300     0.861  100.000   97.884
LGA    V    11_A      V    11_A     0.235     0    0.031   0.037     0.303  100.000  100.000
LGA    F    12_A      F    12_A     0.153     0    0.014   0.048     0.273  100.000  100.000
LGA    S    13_A      S    13_A     0.184     0    0.023   0.630     1.922  100.000   95.476
LGA    A    14_A      A    14_A     0.270     0    0.037   0.060     0.424  100.000  100.000
LGA    N    15_A      N    15_A     0.354     0    0.032   0.064     0.597  100.000   98.810
LGA    C    16_A      C    16_A     0.131     0    0.046   0.096     0.486  100.000  100.000
LGA    A    17_A      A    17_A     0.185     0    0.074   0.084     0.493  100.000  100.000
LGA    A    18_A      A    18_A     0.408     0    0.027   0.035     0.501  100.000   98.095
LGA    C    19_A      C    19_A     0.141     0    0.034   0.060     0.246  100.000  100.000
LGA    H    20_A      H    20_A     0.052     0    0.053   0.122     0.363  100.000  100.000
LGA    L    21_A      L    21_A     0.270     0    0.037   0.131     0.492  100.000  100.000
LGA    G    22_A      G    22_A     0.392     0    0.089   0.089     0.560   97.619   97.619
LGA    G    23_A      G    23_A     0.220     0    0.011   0.011     0.291  100.000  100.000
LGA    R    24_A      R    24_A     0.198     0    0.021   1.123     6.459  100.000   77.143
LGA    N    25_A      N    25_A     0.174     0    0.045   0.079     0.214  100.000  100.000
LGA    V    26_A      V    26_A     0.488     0    0.031   0.033     0.606   95.238   93.197
LGA    V    27_A      V    27_A     0.560     0    0.013   0.049     0.777   92.857   91.837
LGA    N    28_A      N    28_A     0.345     0    0.026   0.113     0.588  100.000   98.810
LGA    P    29_A      P    29_A     0.501     0    0.021   0.347     1.820   95.238   90.680
LGA    A    30_A      A    30_A     0.475     0    0.050   0.047     0.695  100.000   98.095
LGA    K    31_A      K    31_A     0.323     0    0.048   0.097     0.617  100.000   98.942
LGA    T    32_A      T    32_A     0.229     0    0.018   0.077     0.274  100.000  100.000
LGA    L    33_A      L    33_A     0.046     0    0.024   0.088     0.343  100.000  100.000
LGA    Q    34_A      Q    34_A     0.105     0    0.034   0.954     4.222  100.000   83.492
LGA    K    35_A      K    35_A     0.217     0    0.020   0.427     2.420  100.000   92.963
LGA    A    36_A      A    36_A     0.277     0    0.046   0.056     0.450  100.000  100.000
LGA    D    37_A      D    37_A     0.387     0    0.010   0.157     0.885  100.000   97.619
LGA    L    38_A      L    38_A     0.336     0    0.030   0.124     0.416  100.000  100.000
LGA    D    39_A      D    39_A     0.359     0    0.028   0.129     0.525  100.000   98.810
LGA    Q    40_A      Q    40_A     0.517     0    0.040   0.145     1.302   92.857   90.529
LGA    Y    41_A      Y    41_A     0.480     0    0.028   0.079     0.583   97.619   95.238
LGA    G    42_A      G    42_A     0.485     0    0.019   0.019     0.485  100.000  100.000
LGA    M    43_A      M    43_A     0.352     0    0.066   0.611     1.859  100.000   94.286
LGA    A    44_A      A    44_A     0.517     0    0.020   0.036     0.569   95.238   94.286
LGA    S    45_A      S    45_A     0.339     0    0.055   0.052     0.372  100.000  100.000
LGA    I    46_A      I    46_A     0.258     0    0.021   0.062     0.374  100.000  100.000
LGA    E    47_A      E    47_A     0.511     0    0.068   0.208     3.139   97.619   79.735
LGA    A    48_A      A    48_A     0.272     0    0.015   0.050     0.540  100.000   98.095
LGA    I    49_A      I    49_A     0.294     0    0.023   0.033     0.357  100.000  100.000
LGA    T    50_A      T    50_A     0.338     0    0.056   1.127     2.472  100.000   89.728
LGA    T    51_A      T    51_A     0.349     0    0.011   0.030     0.532  100.000   97.279
LGA    Q    52_A      Q    52_A     0.312     0    0.028   0.733     2.050  100.000   91.905
LGA    V    53_A      V    53_A     0.065     0    0.033   0.047     0.137  100.000  100.000
LGA    T    54_A      T    54_A     0.185     0    0.037   0.081     0.376  100.000  100.000
LGA    N    55_A      N    55_A     0.180     0    0.018   0.173     0.598  100.000   98.810
LGA    G    56_A      G    56_A     0.144     0    0.046   0.046     0.291  100.000  100.000
LGA    K    57_A      K    57_A     0.562     0    0.054   0.228     0.782   92.857   91.534
LGA    G    58_A      G    58_A     1.137     0    0.062   0.062     1.137   83.690   83.690
LGA    A    59_A      A    59_A     0.804     0    0.049   0.063     0.894   90.476   90.476
LGA    M    60_A      M    60_A     0.488     0    0.032   0.192     0.584   97.619   98.810
LGA    P    61_A      P    61_A     0.595     0    0.021   0.148     0.902   90.476   90.476
LGA    A    62_A      A    62_A     0.543     0    0.057   0.066     0.790   90.476   90.476
LGA    F    63_A      F    63_A     0.206     0    0.071   0.101     0.600  100.000   97.403
LGA    G    64_A      G    64_A     0.237     0    0.024   0.024     0.398  100.000  100.000
LGA    S    65_A      S    65_A     0.585     0    0.076   0.643     2.543   90.595   85.000
LGA    K    66_A      K    66_A     0.423     0    0.047   0.751     2.955  100.000   89.418
LGA    L    67_A      L    67_A     0.371     0    0.011   0.063     0.445  100.000  100.000
LGA    S    68_A      S    68_A     0.349     0    0.017   0.089     0.451  100.000  100.000
LGA    A    69_A      A    69_A     0.220     0    0.019   0.020     0.332  100.000  100.000
LGA    D    70_A      D    70_A     0.310     0    0.077   0.299     1.320  100.000   96.488
LGA    D    71_A      D    71_A     0.232     0    0.019   0.180     0.767  100.000   97.619
LGA    I    72_A      I    72_A     0.252     0    0.011   0.073     0.410  100.000  100.000
LGA    A    73_A      A    73_A     0.219     0    0.032   0.038     0.270  100.000  100.000
LGA    D    74_A      D    74_A     0.137     0    0.026   0.043     0.292  100.000  100.000
LGA    V    75_A      V    75_A     0.163     0    0.017   0.031     0.337  100.000  100.000
LGA    A    76_A      A    76_A     0.357     0    0.022   0.030     0.462  100.000  100.000
LGA    S    77_A      S    77_A     0.363     0    0.027   0.076     0.671  100.000   98.413
LGA    Y    78_A      Y    78_A     0.240     0    0.028   0.041     0.323  100.000  100.000
LGA    V    79_A      V    79_A     0.253     0    0.020   0.047     0.416  100.000  100.000
LGA    L    80_A      L    80_A     0.278     0    0.049   0.116     0.727  100.000   98.810
LGA    D    81_A      D    81_A     0.173     0    0.018   0.156     0.866  100.000   96.429
LGA    Q    82_A      Q    82_A     0.316     0    0.022   0.165     0.519  100.000   98.942
LGA    S    83_A      S    83_A     0.130     0    0.023   0.522     1.999  100.000   95.476
LGA    E    84_A      E    84_A     0.504     0    0.010   0.877     4.535   92.857   76.772
LGA    K    85_A      K    85_A     0.961     0    0.134   0.171     1.605   86.071   88.519
LGA    G    86_A      G    86_A     0.931     0    0.465   0.465     3.074   78.095   78.095
LGA    W    87_A      W    87_A     0.401     0    0.544   0.395     1.730   88.452   96.020
LGA    Q    88_A      Q    88_A     3.173     0    0.201   0.684     7.104   43.333   34.074
LGA    G    89_A      G    89_A     5.385     0    0.681   0.681     8.726   18.333   18.333

# 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):     0.999          1.095                  1.239           95.341   93.131

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     88    0.83    97.472    98.379     9.437

LGA_LOCAL      RMSD:   0.833  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.006  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   0.999  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.838106 * X  +   0.344417 * Y  +   0.423031 * Z  +  -2.016629
  Y_new =  -0.028671 * X  +   0.802222 * Y  +  -0.596337 * Z  + -16.204353
  Z_new =  -0.544754 * X  +   0.487665 * Y  +   0.682221 * Z  +   1.634236 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.034196  0.576095  0.620603   [DEG:   -1.9593   33.0078   35.5579 ]
ZXZ:  0.616995  0.820000 -0.840638   [DEG:   35.3512   46.9825  -48.1650 ]
 
# END of job
