
#######################################################
#                                                     #
#                        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        0.87     0.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.87     0.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.87     0.87
  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      4    9   48   77   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      4    8   48   84   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      8   72   81   84   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     43   73   81   84   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     32   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     32   73   81   84   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     29   73   81   84   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      7   73   81   84   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     41   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     32   73   81   84   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     32   73   81   84   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     27   73   81   84   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     18   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     41   73   81   84   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     33   73   81   84   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     43   73   81   84   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     43   73   81   84   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     29   73   81   84   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     43   73   81   84   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     43   73   81   84   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     40   73   81   84   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     29   73   81   84   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     43   73   81   84   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     35   73   81   84   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     29   73   81   84   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     43   73   81   84   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     36   73   81   84   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     29   73   81   84   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     31   73   81   84   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     35   73   81   84   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     12   72   81   84   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     11   68   81   84   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      9   68   81   84   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     15   72   81   84   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     43   73   81   84   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     42   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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      4   62   81   84   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      7   17   79   84   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      7   16   50   84   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   17   70   84   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   37   81   84   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     15   73   81   84   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     43   73   81   84   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     27   73   81   84   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     39   73   81   84   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     39   73   81   84   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     39   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     43   73   81   84   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     24   73   81   84   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     43   73   81   84   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     30   70   81   84   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     43     73     81     84     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  50.00  84.88  94.19  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
GDT RMS_LOCAL    0.32   0.53   0.66   0.77   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87
GDT RMS_ALL_AT   0.95   0.94   0.90   0.88   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87   0.87

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  Y    20_B      Y    20_B
#   possible swapping detected:  F    28_B      F    28_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    33_B      E    33_B
#   possible swapping detected:  E    34_B      E    34_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  Y    81_B      Y    81_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     2.797     0    0.561   1.076    11.604   57.976   31.693
LGA    P     6_B      P     6_B     2.499     0    0.042   0.315     4.032   66.905   57.823
LGA    N     7_B      N     7_B     0.824     0    0.058   0.184     1.651   92.976   89.524
LGA    E     8_B      E     8_B     0.740     0    0.099   0.940     5.085   90.595   64.656
LGA    I     9_B      I     9_B     0.914     0    0.089   0.103     1.409   85.952   88.214
LGA    V    10_B      V    10_B     0.869     0    0.013   0.068     1.141   90.476   89.184
LGA    I    11_B      I    11_B     0.547     0    0.044   0.086     0.657   90.476   95.238
LGA    T    12_B      T    12_B     0.873     0    0.131   0.232     1.330   88.214   85.306
LGA    K    13_B      K    13_B     0.909     0    0.036   0.925     4.855   85.952   73.704
LGA    S    14_B      S    14_B     1.201     0    0.042   0.133     1.337   85.952   84.444
LGA    K    15_B      K    15_B     0.637     0    0.175   0.628     1.434   88.214   90.582
LGA    R    16_B      R    16_B     0.479     0    0.031   0.697     1.659   97.619   89.827
LGA    I    17_B      I    17_B     0.293     0    0.019   0.664     2.356  100.000   94.405
LGA    E    18_B      E    18_B     0.214     0    0.015   0.871     3.636  100.000   85.026
LGA    D    19_B      D    19_B     0.280     0    0.035   0.188     0.880  100.000   96.429
LGA    Y    20_B      Y    20_B     0.235     0    0.019   0.173     0.478  100.000  100.000
LGA    V    21_B      V    21_B     0.149     0    0.030   0.037     0.209  100.000  100.000
LGA    L    22_B      L    22_B     0.240     0    0.026   1.384     3.113  100.000   85.000
LGA    D    23_B      D    23_B     0.328     0    0.022   0.085     0.744  100.000   96.429
LGA    T    24_B      T    24_B     0.200     0    0.016   0.085     0.282  100.000  100.000
LGA    I    25_B      I    25_B     0.352     0    0.047   0.126     1.090  100.000   96.488
LGA    I    26_B      I    26_B     0.172     0    0.040   0.055     0.472  100.000  100.000
LGA    L    27_B      L    27_B     0.393     0    0.015   0.130     0.700   95.238   95.238
LGA    F    28_B      F    28_B     0.605     0    0.021   0.238     0.792   90.476   92.208
LGA    N    29_B      N    29_B     0.951     0    0.017   1.388     4.791   85.952   69.107
LGA    Q    30_B      Q    30_B     1.012     0    0.051   0.086     1.060   83.690   87.460
LGA    G    31_B      G    31_B     1.170     0    0.033   0.033     1.170   83.690   83.690
LGA    Y    32_B      Y    32_B     0.890     0    0.089   0.118     1.029   88.214   87.460
LGA    E    33_B      E    33_B     0.427     0    0.020   0.693     2.227  100.000   87.090
LGA    E    34_B      E    34_B     0.152     0    0.025   0.166     1.235   97.619   94.762
LGA    V    35_B      V    35_B     0.300     0    0.041   0.074     0.449  100.000  100.000
LGA    E    36_B      E    36_B     0.479     0    0.025   0.145     0.576   95.238   94.709
LGA    I    37_B      I    37_B     0.511     0    0.051   0.069     0.882   95.238   94.048
LGA    R    38_B      R    38_B     0.703     0    0.052   1.444     6.527   90.476   69.221
LGA    G    39_B      G    39_B     0.616     0    0.119   0.119     1.001   88.214   88.214
LGA    S    40_B      S    40_B     0.789     0    0.044   0.138     1.586   90.476   86.032
LGA    G    41_B      G    41_B     0.637     0    0.020   0.020     0.658   90.476   90.476
LGA    Q    42_B      Q    42_B     0.905     0    0.012   0.814     2.695   90.476   77.196
LGA    E    43_B      E    43_B     0.508     0    0.031   1.182     4.540   95.238   83.333
LGA    I    44_B      I    44_B     0.094     0    0.017   0.066     0.388  100.000  100.000
LGA    N    45_B      N    45_B     0.650     0    0.090   0.831     3.590   92.857   78.393
LGA    K    46_B      K    46_B     0.524     0    0.031   1.019     6.603   92.857   69.524
LGA    A    47_B      A    47_B     0.371     0    0.017   0.017     0.597   95.238   96.190
LGA    I    48_B      I    48_B     0.519     0    0.044   0.052     0.756   92.857   95.238
LGA    E    49_B      E    49_B     0.630     0    0.016   1.087     4.874   90.476   70.582
LGA    V    50_B      V    50_B     0.275     0    0.023   0.048     0.395  100.000  100.000
LGA    Y    51_B      Y    51_B     0.555     0    0.016   0.112     0.806   92.857   91.270
LGA    N    52_B      N    52_B     0.831     0    0.038   0.080     1.006   88.214   88.214
LGA    Q    53_B      Q    53_B     0.520     0    0.017   0.164     1.105   95.238   92.646
LGA    L    54_B      L    54_B     0.486     0    0.012   0.083     0.691   95.238   97.619
LGA    V    55_B      V    55_B     0.915     0    0.037   0.054     1.567   90.476   85.374
LGA    D    56_B      D    56_B     0.696     0    0.018   0.746     3.249   92.857   78.333
LGA    R    57_B      R    57_B     0.545     0    0.022   1.439     7.912   90.595   60.260
LGA    L    58_B      L    58_B     1.066     0    0.043   0.078     1.290   83.690   84.821
LGA    K    59_B      K    59_B     1.270     0    0.045   1.108     5.450   83.690   64.974
LGA    E    60_B      E    60_B     1.335     0    0.010   0.828     2.916   83.690   74.233
LGA    G    61_B      G    61_B     0.874     0    0.105   0.105     1.023   90.595   90.595
LGA    V    62_B      V    62_B     0.251     0    0.119   0.920     2.401   95.238   87.211
LGA    R    63_B      R    63_B     0.459     0    0.042   1.171     4.257  100.000   84.242
LGA    L    64_B      L    64_B     0.167     0    0.103   0.131     0.564   97.619   98.810
LGA    E    65_B      E    65_B     0.312     0    0.033   0.215     0.493  100.000  100.000
LGA    K    66_B      K    66_B     0.249     0    0.087   0.533     1.780  100.000   95.926
LGA    V    67_B      V    67_B     0.403     0    0.047   0.070     0.732   97.619   94.558
LGA    D    68_B      D    68_B     0.456     0    0.101   0.248     0.929   95.238   96.429
LGA    I    69_B      I    69_B     0.434     0    0.107   1.111     3.449   97.619   80.714
LGA    G    70_B      G    70_B     0.556     0    0.027   0.027     0.752   90.476   90.476
LGA    S    71_B      S    71_B     0.762     0    0.040   0.037     0.795   90.476   90.476
LGA    E    72_B      E    72_B     1.236     0    0.109   0.481     4.643   85.952   61.534
LGA    V    73_B      V    73_B     1.792     0    0.044   0.043     3.042   65.119   63.878
LGA    K    74_B      K    74_B     2.290     0    0.061   1.111     5.537   68.810   55.556
LGA    D    75_B      D    75_B     2.104     0    0.068   0.064     2.343   68.810   66.786
LGA    R    76_B      R    76_B     1.551     0    0.030   1.035     3.177   77.143   68.009
LGA    R    77_B      R    77_B     0.715     0    0.026   1.390     7.503   88.214   59.394
LGA    R    78_B      R    78_B     0.540     0    0.052   0.244     3.247   90.476   78.095
LGA    I    79_B      I    79_B     1.244     0    0.109   1.138     2.852   85.952   75.417
LGA    S    80_B      S    80_B     0.849     0    0.062   0.705     1.902   90.476   87.540
LGA    Y    81_B      Y    81_B     0.789     0    0.060   1.361    10.386   90.476   50.516
LGA    I    82_B      I    82_B     0.707     0    0.065   0.205     0.845   90.476   90.476
LGA    L    83_B      L    83_B     0.416     0    0.018   0.061     0.563   97.619   98.810
LGA    L    84_B      L    84_B     0.234     0    0.078   0.793     1.866   97.619   90.833
LGA    R    85_B      R    85_B     0.226     0    0.039   1.275     4.856  100.000   78.918
LGA    L    86_B      L    86_B     0.246     0    0.032   1.090     2.712  100.000   89.048
LGA    K    87_B      K    87_B     0.205     0    0.042   0.209     1.241  100.000   94.815
LGA    R    88_B      R    88_B     0.678     0    0.037   1.200     6.434   90.476   65.931
LGA    I    89_B      I    89_B     0.655     0    0.030   0.043     0.771   90.476   90.476
LGA    Y    90_B      Y    90_B     1.231     0    0.393   1.435    10.313   75.476   41.032

# 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):     0.873          0.889                  2.055           91.294   83.935

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.87    95.640    98.210     8.836

LGA_LOCAL      RMSD:   0.873  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.873  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.873  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.728258 * X  +   0.407500 * Y  +  -0.550984 * Z  +  11.952140
  Y_new =   0.200246 * X  +   0.895447 * Y  +   0.397587 * Z  +   7.671801
  Z_new =   0.655394 * X  +   0.179214 * Y  +  -0.733717 * Z  +  10.391319 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.873258 -0.714704  2.902029   [DEG:  164.6256  -40.9495  166.2740 ]
ZXZ: -2.195869  2.394573  1.303877   [DEG: -125.8140  137.1989   74.7067 ]
 
# END of job
