
#######################################################
#                                                     #
#                        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   90 (  747),  selected   86 , name one
# Molecule2: number of CA atoms   86 (  717),  selected   86 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.60     0.60
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.60     0.60
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.60     0.60
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   86
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     K     5_B     K     5_B     86   86   86     10   66   83   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B     86   86   86      6   68   83   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     86   86   86     24   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     86   86   86     44   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     86   86   86     29   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     86   86   86     23   77   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     86   86   86     19   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     86   86   86     46   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     86   86   86     55   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     86   86   86     58   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     86   86   86     49   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     86   86   86     41   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     86   86   86     55   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     86   86   86     55   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     86   86   86      8   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     86   86   86      8   14   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     86   86   86      8   14   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     86   86   86      8   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     86   86   86      8   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     86   86   86     29   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     86   86   86     55   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     86   86   86     61   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     86   86   86     60   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     86   86   86     47   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     86   86   86     24   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     86   86   86     17   79   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
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     61     79     84     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  70.93  91.86  97.67 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.44   0.54   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60
GDT RMS_ALL_AT   0.63   0.62   0.61   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  E    36_B      E    36_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  Y    90_B      Y    90_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     1.695     0    0.603   0.668    11.400   72.024   40.899
LGA    P     6_B      P     6_B     1.779     0    0.030   0.334     3.396   75.000   66.327
LGA    N     7_B      N     7_B     0.776     0    0.028   0.220     1.692   92.976   88.393
LGA    E     8_B      E     8_B     0.685     0    0.061   0.842     6.276   90.595   65.714
LGA    I     9_B      I     9_B     0.937     0    0.136   0.123     1.342   88.214   89.345
LGA    V    10_B      V    10_B     0.542     0    0.050   0.080     0.843   95.238   93.197
LGA    I    11_B      I    11_B     0.319     0    0.054   0.127     0.636   97.619   98.810
LGA    T    12_B      T    12_B     0.651     0    0.102   0.141     1.158   92.857   87.959
LGA    K    13_B      K    13_B     0.493     0    0.118   0.860     4.152   92.976   80.053
LGA    S    14_B      S    14_B     1.297     0    0.073   0.076     1.540   79.286   77.143
LGA    K    15_B      K    15_B     0.334     0    0.115   0.657     1.403   95.238   88.571
LGA    R    16_B      R    16_B     0.220     0    0.034   0.154     1.634  100.000   90.736
LGA    I    17_B      I    17_B     0.362     0    0.016   0.159     0.607  100.000   98.810
LGA    E    18_B      E    18_B     0.311     0    0.028   0.106     0.455  100.000  100.000
LGA    D    19_B      D    19_B     0.310     0    0.033   0.157     0.649  100.000   97.619
LGA    Y    20_B      Y    20_B     0.227     0    0.023   0.094     0.412  100.000  100.000
LGA    V    21_B      V    21_B     0.177     0    0.010   0.053     0.270  100.000  100.000
LGA    L    22_B      L    22_B     0.183     0    0.043   1.355     2.889  100.000   85.893
LGA    D    23_B      D    23_B     0.148     0    0.016   0.170     0.414  100.000  100.000
LGA    T    24_B      T    24_B     0.207     0    0.008   0.057     0.388  100.000  100.000
LGA    I    25_B      I    25_B     0.197     0    0.030   0.137     0.790  100.000   97.619
LGA    I    26_B      I    26_B     0.206     0    0.029   0.044     0.545  100.000   98.810
LGA    L    27_B      L    27_B     0.157     0    0.028   0.108     0.440  100.000  100.000
LGA    F    28_B      F    28_B     0.319     0    0.040   0.068     0.699   95.238   97.403
LGA    N    29_B      N    29_B     0.491     0    0.036   1.381     4.309   95.238   76.131
LGA    Q    30_B      Q    30_B     0.335     0    0.041   0.114     0.489  100.000  100.000
LGA    G    31_B      G    31_B     0.920     0    0.024   0.024     0.920   90.476   90.476
LGA    Y    32_B      Y    32_B     0.624     0    0.140   0.144     1.174   88.214   92.897
LGA    E    33_B      E    33_B     0.619     0    0.023   0.727     2.774   90.476   80.053
LGA    E    34_B      E    34_B     0.271     0    0.032   0.112     1.076  100.000   94.762
LGA    V    35_B      V    35_B     0.215     0    0.054   0.049     0.281  100.000  100.000
LGA    E    36_B      E    36_B     0.228     0    0.058   0.177     0.710  100.000   96.825
LGA    I    37_B      I    37_B     0.507     0    0.012   0.051     0.707   97.619   95.238
LGA    R    38_B      R    38_B     0.497     0    0.089   0.223     1.786  100.000   89.091
LGA    G    39_B      G    39_B     0.523     0    0.047   0.047     0.533   95.238   95.238
LGA    S    40_B      S    40_B     0.614     0    0.081   0.654     1.793   97.619   90.794
LGA    G    41_B      G    41_B     0.202     0    0.043   0.043     0.411  100.000  100.000
LGA    Q    42_B      Q    42_B     0.071     0    0.013   0.799     2.445  100.000   92.011
LGA    E    43_B      E    43_B     0.253     0    0.026   0.852     2.869  100.000   86.402
LGA    I    44_B      I    44_B     0.188     0    0.030   0.075     0.450  100.000  100.000
LGA    N    45_B      N    45_B     0.188     0    0.016   0.902     3.479  100.000   84.940
LGA    K    46_B      K    46_B     0.259     0    0.013   0.057     0.473  100.000  100.000
LGA    A    47_B      A    47_B     0.125     0    0.014   0.014     0.188  100.000  100.000
LGA    I    48_B      I    48_B     0.192     0    0.036   0.057     0.455  100.000  100.000
LGA    E    49_B      E    49_B     0.340     0    0.041   0.616     2.143  100.000   88.942
LGA    V    50_B      V    50_B     0.236     0    0.022   0.051     0.389  100.000  100.000
LGA    Y    51_B      Y    51_B     0.067     0    0.025   0.091     0.493  100.000  100.000
LGA    N    52_B      N    52_B     0.397     0    0.063   0.082     0.870   97.619   94.048
LGA    Q    53_B      Q    53_B     0.282     0    0.026   0.120     0.419  100.000  100.000
LGA    L    54_B      L    54_B     0.076     0    0.012   0.038     0.238  100.000  100.000
LGA    V    55_B      V    55_B     0.285     0    0.033   0.053     0.623  100.000   98.639
LGA    D    56_B      D    56_B     0.323     0    0.018   0.761     3.142  100.000   83.988
LGA    R    57_B      R    57_B     0.380     0    0.015   1.656    10.000   95.238   54.242
LGA    L    58_B      L    58_B     0.500     0    0.023   0.041     0.646   95.238   96.429
LGA    K    59_B      K    59_B     0.659     0    0.045   1.093     4.444   92.857   75.979
LGA    E    60_B      E    60_B     0.670     0    0.078   0.834     3.011   90.476   82.434
LGA    G    61_B      G    61_B     0.609     0    0.057   0.057     0.623   90.476   90.476
LGA    V    62_B      V    62_B     0.338     0    0.055   0.064     0.521  100.000   98.639
LGA    R    63_B      R    63_B     0.156     0    0.021   0.563     3.532  100.000   83.723
LGA    L    64_B      L    64_B     0.190     0    0.039   0.089     0.395  100.000  100.000
LGA    E    65_B      E    65_B     0.326     0    0.034   0.796     3.036  100.000   85.608
LGA    K    66_B      K    66_B     0.175     0    0.041   0.759     3.619  100.000   86.772
LGA    V    67_B      V    67_B     0.201     0    0.037   0.042     0.354  100.000  100.000
LGA    D    68_B      D    68_B     0.459     0    0.080   0.111     0.639   97.619   97.619
LGA    I    69_B      I    69_B     0.210     0    0.069   0.069     0.386  100.000  100.000
LGA    G    70_B      G    70_B     0.827     0    0.042   0.042     0.827   90.476   90.476
LGA    S    71_B      S    71_B     0.425     0    0.087   0.647     2.813   90.595   86.587
LGA    E    72_B      E    72_B     0.821     0    0.082   0.496     2.482   90.476   85.661
LGA    V    73_B      V    73_B     1.478     0    0.076   0.082     2.403   75.119   72.993
LGA    K    74_B      K    74_B     1.547     0    0.064   0.881     3.723   79.286   68.889
LGA    D    75_B      D    75_B     1.108     0    0.055   0.091     1.474   85.952   83.690
LGA    R    76_B      R    76_B     0.967     0    0.041   1.059     2.779   88.214   79.437
LGA    R    77_B      R    77_B     0.248     0    0.013   0.791     3.582   97.619   83.420
LGA    R    78_B      R    78_B     0.327     0    0.042   0.960     6.032   97.619   69.004
LGA    I    79_B      I    79_B     1.124     0    0.141   1.100     2.789   85.952   75.417
LGA    S    80_B      S    80_B     0.687     0    0.019   0.052     1.099   95.238   92.143
LGA    Y    81_B      Y    81_B     0.451     0    0.017   0.137     1.213   97.619   89.841
LGA    I    82_B      I    82_B     0.280     0    0.025   0.060     0.424  100.000  100.000
LGA    L    83_B      L    83_B     0.290     0    0.024   1.363     2.999  100.000   85.893
LGA    L    84_B      L    84_B     0.437     0    0.081   0.125     0.849   95.238   95.238
LGA    R    85_B      R    85_B     0.278     0    0.042   1.291     7.077  100.000   65.584
LGA    L    86_B      L    86_B     0.212     0    0.035   0.066     0.303  100.000  100.000
LGA    K    87_B      K    87_B     0.514     0    0.028   0.625     2.724   90.476   84.815
LGA    R    88_B      R    88_B     0.754     0    0.036   1.168     6.107   90.476   64.459
LGA    I    89_B      I    89_B     0.811     0    0.657   0.782     3.325   78.095   81.071
LGA    Y    90_B      Y    90_B     0.957     0    0.188   1.208    10.401   63.095   35.635

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       86     344    344  100.00     717    717  100.00                86
SUMMARY(RMSD_GDC):     0.604          0.732                  1.744           95.037   88.558

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.60    97.965    99.184    12.223

LGA_LOCAL      RMSD:   0.604  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.604  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.604  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.875963 * X  +  -0.482323 * Y  +   0.007315 * Z  +   8.642735
  Y_new =  -0.463517 * X  +   0.845814 * Y  +   0.264102 * Z  +   9.589080
  Z_new =  -0.133569 * X  +   0.227953 * Y  +  -0.964467 * Z  +  -2.226434 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.654897  0.133970  2.909500   [DEG: -152.1144    7.6759  166.7021 ]
ZXZ:  3.113904  2.874215 -0.530024   [DEG:  178.4136  164.6804  -30.3682 ]
 
# END of job
