
#######################################################
#                                                     #
#                        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   85 (  606),  selected   85 , name one
# Molecule2: number of CA atoms   87 (  616),  selected   85 , 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:    85       3_A - 87_A        0.61     0.61
  LCS_AVERAGE:     97.70

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.61     0.61
  LCS_AVERAGE:     97.70

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.61     0.61
  LCS_AVERAGE:     97.70

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   85
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     A     3_A     A     3_A     85   85   85     20   72   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     D     4_A     D     4_A     85   85   85     43   81   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     L     5_A     L     5_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A     6_A     A     6_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     H     7_A     H     7_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G     8_A     G     8_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     K     9_A     K     9_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    10_A     A    10_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     I    11_A     I    11_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     F    12_A     F    12_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    13_A     A    13_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    14_A     G    14_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     N    15_A     N    15_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     C    16_A     C    16_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    17_A     A    17_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    18_A     A    18_A     85   85   85      6   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     C    19_A     C    19_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     H    20_A     H    20_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     N    21_A     N    21_A     85   85   85     12   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    22_A     G    22_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    23_A     G    23_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     L    24_A     L    24_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     N    25_A     N    25_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    26_A     A    26_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     I    27_A     I    27_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     N    28_A     N    28_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     P    29_A     P    29_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     S    30_A     S    30_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     K    31_A     K    31_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     T    32_A     T    32_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     L    33_A     L    33_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     K    34_A     K    34_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     M    35_A     M    35_A     85   85   85     22   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    36_A     A    36_A     85   85   85     48   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     D    37_A     D    37_A     85   85   85     26   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     L    38_A     L    38_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     E    39_A     E    39_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    40_A     A    40_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     N    41_A     N    41_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    42_A     G    42_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     K    43_A     K    43_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     N    44_A     N    44_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     S    45_A     S    45_A     85   85   85     12   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     V    46_A     V    46_A     85   85   85     13   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    47_A     A    47_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    48_A     A    48_A     85   85   85     13   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     I    49_A     I    49_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     V    50_A     V    50_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    51_A     A    51_A     85   85   85     45   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     Q    52_A     Q    52_A     85   85   85     13   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     I    53_A     I    53_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     T    54_A     T    54_A     85   85   85     45   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     N    55_A     N    55_A     85   85   85     41   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    56_A     G    56_A     85   85   85     16   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     N    57_A     N    57_A     85   85   85     41   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    58_A     G    58_A     85   85   85     11   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    59_A     A    59_A     85   85   85     41   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     M    60_A     M    60_A     85   85   85     46   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     P    61_A     P    61_A     85   85   85     11   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    62_A     G    62_A     85   85   85     45   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     F    63_A     F    63_A     85   85   85     41   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     K    64_A     K    64_A     85   85   85      3   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    65_A     G    65_A     85   85   85     37   74   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     R    66_A     R    66_A     85   85   85     47   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     I    67_A     I    67_A     85   85   85     47   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     S    68_A     S    68_A     85   85   85     31   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     D    69_A     D    69_A     85   85   85     31   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     S    70_A     S    70_A     85   85   85     10   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     D    71_A     D    71_A     85   85   85     18   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     M    72_A     M    72_A     85   85   85     37   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     E    73_A     E    73_A     85   85   85     47   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     D    74_A     D    74_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     V    75_A     V    75_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    76_A     A    76_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    77_A     A    77_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     Y    78_A     Y    78_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     V    79_A     V    79_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     L    80_A     L    80_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     D    81_A     D    81_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     Q    82_A     Q    82_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     A    83_A     A    83_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     E    84_A     E    84_A     85   85   85     40   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     K    85_A     K    85_A     85   85   85     17   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     G    86_A     G    86_A     85   85   85     41   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_GDT     W    87_A     W    87_A     85   85   85     49   82   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85   85 
LCS_AVERAGE  LCS_A:  97.70  (  97.70   97.70   97.70 )

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     49     82     85     85     85     85     85     85     85     85     85     85     85     85     85     85     85     85     85     85 
GDT PERCENT_AT  56.32  94.25  97.70  97.70  97.70  97.70  97.70  97.70  97.70  97.70  97.70  97.70  97.70  97.70  97.70  97.70  97.70  97.70  97.70  97.70
GDT RMS_LOCAL    0.31   0.58   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61
GDT RMS_ALL_AT   0.67   0.62   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  E    84_A      E    84_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     3_A      A     3_A     1.301     0    0.642   0.590     3.840   74.167   73.905
LGA    D     4_A      D     4_A     0.928     0    0.022   0.151     1.522   88.214   86.012
LGA    L     5_A      L     5_A     0.531     0    0.079   0.076     1.322   95.238   91.726
LGA    A     6_A      A     6_A     0.636     0    0.035   0.034     0.859   95.238   94.286
LGA    H     7_A      H     7_A     0.473     0    0.026   1.378     4.744   97.619   72.286
LGA    G     8_A      G     8_A     0.255     0    0.024   0.024     0.295  100.000  100.000
LGA    K     9_A      K     9_A     0.225     0    0.064   0.079     0.252  100.000  100.000
LGA    A    10_A      A    10_A     0.426     0    0.025   0.024     0.650  100.000   98.095
LGA    I    11_A      I    11_A     0.418     0    0.019   0.681     2.116  100.000   92.024
LGA    F    12_A      F    12_A     0.212     0    0.011   0.160     0.778  100.000   96.537
LGA    A    13_A      A    13_A     0.172     0    0.049   0.049     0.271  100.000  100.000
LGA    G    14_A      G    14_A     0.174     0    0.043   0.043     0.181  100.000  100.000
LGA    N    15_A      N    15_A     0.231     0    0.036   0.113     0.369  100.000  100.000
LGA    C    16_A      C    16_A     0.156     0    0.037   0.177     0.616  100.000   98.413
LGA    A    17_A      A    17_A     0.361     0    0.012   0.014     0.733   95.238   94.286
LGA    A    18_A      A    18_A     0.935     0    0.055   0.056     1.308   88.214   86.857
LGA    C    19_A      C    19_A     0.380     0    0.056   0.075     0.656  100.000   96.825
LGA    H    20_A      H    20_A     0.276     0    0.142   0.132     0.653   97.619   99.048
LGA    N    21_A      N    21_A     0.981     0    0.056   0.742     3.554   92.857   82.440
LGA    G    22_A      G    22_A     0.300     0    0.074   0.074     0.520   97.619   97.619
LGA    G    23_A      G    23_A     0.428     0    0.021   0.021     0.474  100.000  100.000
LGA    L    24_A      L    24_A     0.154     0    0.044   0.133     0.701  100.000   97.619
LGA    N    25_A      N    25_A     0.231     0    0.021   0.164     0.852  100.000   98.810
LGA    A    26_A      A    26_A     0.144     0    0.155   0.175     0.982   97.619   98.095
LGA    I    27_A      I    27_A     0.179     0    0.025   0.103     0.322  100.000  100.000
LGA    N    28_A      N    28_A     0.420     0    0.033   0.140     1.107  100.000   95.298
LGA    P    29_A      P    29_A     0.445     0    0.055   0.072     0.556   97.619   98.639
LGA    S    30_A      S    30_A     0.516     0    0.050   0.126     0.683   95.238   93.651
LGA    K    31_A      K    31_A     0.305     0    0.010   0.976     4.475  100.000   85.185
LGA    T    32_A      T    32_A     0.279     0    0.017   0.041     0.493  100.000  100.000
LGA    L    33_A      L    33_A     0.351     0    0.026   0.177     0.462  100.000  100.000
LGA    K    34_A      K    34_A     0.347     0    0.030   0.084     0.727   95.238   96.825
LGA    M    35_A      M    35_A     0.844     0    0.088   0.702     4.727   90.476   73.095
LGA    A    36_A      A    36_A     0.700     0    0.032   0.036     0.800   90.476   90.476
LGA    D    37_A      D    37_A     0.791     0    0.024   0.129     1.298   90.476   87.083
LGA    L    38_A      L    38_A     0.621     0    0.031   0.060     0.799   90.476   90.476
LGA    E    39_A      E    39_A     0.587     0    0.003   0.939     3.310   90.476   74.868
LGA    A    40_A      A    40_A     0.665     0    0.054   0.054     0.769   90.476   90.476
LGA    N    41_A      N    41_A     0.582     0    0.025   0.263     1.149   90.476   90.536
LGA    G    42_A      G    42_A     0.427     0    0.059   0.059     0.459  100.000  100.000
LGA    K    43_A      K    43_A     0.341     0    0.105   0.723     4.089   97.619   85.026
LGA    N    44_A      N    44_A     0.188     0    0.159   0.139     0.663   97.619   97.619
LGA    S    45_A      S    45_A     0.769     0    0.033   0.088     0.965   90.476   90.476
LGA    V    46_A      V    46_A     0.840     0    0.051   0.073     0.917   90.476   90.476
LGA    A    47_A      A    47_A     0.633     0    0.018   0.018     0.730   92.857   92.381
LGA    A    48_A      A    48_A     0.716     0    0.052   0.062     0.730   90.476   90.476
LGA    I    49_A      I    49_A     0.699     0    0.022   0.053     0.813   90.476   90.476
LGA    V    50_A      V    50_A     0.314     0    0.028   0.046     0.524  100.000   98.639
LGA    A    51_A      A    51_A     0.478     0    0.017   0.019     0.683   95.238   94.286
LGA    Q    52_A      Q    52_A     0.696     0    0.028   1.170     5.080   95.238   76.085
LGA    I    53_A      I    53_A     0.284     0    0.018   0.048     1.013  100.000   95.298
LGA    T    54_A      T    54_A     0.590     0    0.024   0.052     0.912   92.857   91.837
LGA    N    55_A      N    55_A     0.750     0    0.078   0.366     1.266   90.476   89.345
LGA    G    56_A      G    56_A     0.883     0    0.036   0.036     0.883   90.476   90.476
LGA    N    57_A      N    57_A     0.799     0    0.087   0.461     1.186   90.476   88.214
LGA    G    58_A      G    58_A     1.251     0    0.042   0.042     1.251   81.429   81.429
LGA    A    59_A      A    59_A     0.756     0    0.039   0.041     0.897   90.476   90.476
LGA    M    60_A      M    60_A     0.488     0    0.041   0.914     3.509   92.857   89.345
LGA    P    61_A      P    61_A     0.975     0    0.008   0.049     1.290   90.476   86.599
LGA    G    62_A      G    62_A     0.534     0    0.073   0.073     0.797   90.476   90.476
LGA    F    63_A      F    63_A     0.669     0    0.044   0.251     0.836   90.476   92.208
LGA    K    64_A      K    64_A     1.212     0    0.597   0.682     3.376   75.833   74.550
LGA    G    65_A      G    65_A     1.239     0    0.224   0.224     1.260   85.952   85.952
LGA    R    66_A      R    66_A     0.269     0    0.079   1.099     4.051   92.976   71.126
LGA    I    67_A      I    67_A     0.346     0    0.045   0.079     0.592   95.238   96.429
LGA    S    68_A      S    68_A     0.870     0    0.056   0.052     1.295   88.214   85.952
LGA    D    69_A      D    69_A     0.953     0    0.072   0.280     1.935   90.476   86.012
LGA    S    70_A      S    70_A     0.985     0    0.009   0.718     1.269   90.476   87.460
LGA    D    71_A      D    71_A     0.824     0    0.050   0.115     1.374   90.476   88.214
LGA    M    72_A      M    72_A     0.630     0    0.028   0.705     2.391   90.476   87.262
LGA    E    73_A      E    73_A     0.609     0    0.036   0.959     3.735   90.476   77.566
LGA    D    74_A      D    74_A     0.341     0    0.035   0.039     0.580  100.000   97.619
LGA    V    75_A      V    75_A     0.332     0    0.036   0.241     0.815  100.000   98.639
LGA    A    76_A      A    76_A     0.451     0    0.021   0.020     0.544   95.238   96.190
LGA    A    77_A      A    77_A     0.553     0    0.016   0.020     0.573   92.857   92.381
LGA    Y    78_A      Y    78_A     0.350     0    0.009   0.151     0.702  100.000   98.413
LGA    V    79_A      V    79_A     0.343     0    0.035   0.083     0.402  100.000  100.000
LGA    L    80_A      L    80_A     0.066     0    0.041   0.194     0.709  100.000   97.619
LGA    D    81_A      D    81_A     0.106     0    0.023   0.894     3.477  100.000   83.988
LGA    Q    82_A      Q    82_A     0.086     0    0.022   0.811     2.362  100.000   94.021
LGA    A    83_A      A    83_A     0.242     0    0.015   0.012     0.455  100.000  100.000
LGA    E    84_A      E    84_A     0.659     0    0.106   1.138     3.808   92.857   76.931
LGA    K    85_A      K    85_A     0.952     0    0.061   0.806     2.850   88.214   81.958
LGA    G    86_A      G    86_A     0.703     0    0.606   0.606     3.322   78.095   78.095
LGA    W    87_A      W    87_A     0.312     0    0.649   0.457     2.397   88.810   85.578

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       85     340    340  100.00     606    606  100.00                87
SUMMARY(RMSD_GDC):     0.611          0.682                  1.102           92.054   88.909

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   85   87    4.0     85    0.61    96.839    97.429    11.962

LGA_LOCAL      RMSD:   0.611  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.611  Number of assigned atoms:   85 
Std_ASGN_ATOMS RMSD:   0.611  Standard rmsd on all 85 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.374310 * X  +   0.085988 * Y  +  -0.923308 * Z  +  25.295322
  Y_new =   0.766934 * X  +  -0.588401 * Y  +   0.256118 * Z  +   4.593410
  Z_new =  -0.521252 * X  +  -0.803984 * Y  +  -0.286192 * Z  + 130.633362 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.116745  0.548318 -1.912777   [DEG:   63.9848   31.4163 -109.5940 ]
ZXZ: -1.841385  1.861046 -2.566387   [DEG: -105.5036  106.6301 -147.0432 ]
 
# END of job
