
#######################################################
#                                                     #
#                        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        1.04     1.04
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.04     1.04
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       6_B - 90_B        0.95     1.04
  LCS_AVERAGE:     97.73

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      3   86   86      3    3    3    3   75   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B     85   86   86      3    3    4    6    6   11   54   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     85   86   86      3   22   64   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     85   86   86     27   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     85   86   86     23   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     85   86   86      4   56   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     85   86   86     64   77   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     85   86   86     31   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     85   86   86     31   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     85   86   86     13   76   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     85   86   86     13   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     85   86   86     62   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     85   86   86     49   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     85   86   86      8   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     85   86   86      8   47   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     85   86   86     22   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     85   86   86      3   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     85   86   86      3   39   74   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     85   86   86     40   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     85   86   86     58   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     85   86   86     58   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     85   86   86     64   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     85   86   86     40   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     85   86   86     57   78   82   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  99.24  (  97.73  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     64     78     82     84     84     85     85     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  74.42  90.70  95.35  97.67  97.67  98.84  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.48   0.53   0.63   0.63   0.79   0.79   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04
GDT RMS_ALL_AT   1.10   1.07   1.07   1.06   1.06   1.05   1.05   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04   1.04

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  E    33_B      E    33_B
#   possible swapping detected:  E    43_B      E    43_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    68_B      D    68_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     4.060     0    0.566   1.141     5.392   34.524   39.788
LGA    P     6_B      P     6_B     6.253     0    0.685   0.606     9.052   25.238   17.211
LGA    N     7_B      N     7_B     1.966     0    0.487   1.174     3.869   75.476   69.464
LGA    E     8_B      E     8_B     0.759     0    0.198   1.101     7.375   90.595   60.688
LGA    I     9_B      I     9_B     0.525     0    0.015   0.143     1.168   88.214   88.214
LGA    V    10_B      V    10_B     0.618     0    0.055   0.072     0.937   90.476   90.476
LGA    I    11_B      I    11_B     0.733     0    0.000   1.091     3.114   88.214   77.917
LGA    T    12_B      T    12_B     1.396     0    0.094   0.162     2.371   81.429   74.286
LGA    K    13_B      K    13_B     0.643     0    0.126   0.297     2.292   88.214   86.772
LGA    S    14_B      S    14_B     0.944     0    0.164   0.644     2.985   83.810   80.476
LGA    K    15_B      K    15_B     0.633     0    0.112   0.700     3.003   88.214   83.175
LGA    R    16_B      R    16_B     0.726     0    0.060   1.251     7.520   90.476   61.342
LGA    I    17_B      I    17_B     0.465     0    0.054   1.442     4.488   97.619   82.143
LGA    E    18_B      E    18_B     0.558     0    0.037   1.513     6.065   90.476   68.307
LGA    D    19_B      D    19_B     0.739     0    0.068   1.027     2.953   90.476   80.893
LGA    Y    20_B      Y    20_B     0.539     0    0.025   0.243     1.336   92.857   91.349
LGA    V    21_B      V    21_B     0.237     0    0.036   0.116     0.476  100.000  100.000
LGA    L    22_B      L    22_B     0.638     0    0.000   1.052     3.054   92.857   82.440
LGA    D    23_B      D    23_B     0.804     0    0.038   0.130     1.495   90.476   87.083
LGA    T    24_B      T    24_B     0.485     0    0.000   1.105     2.681   97.619   87.483
LGA    I    25_B      I    25_B     0.381     0    0.000   0.596     1.565  100.000   94.226
LGA    I    26_B      I    26_B     0.424     0    0.046   0.931     2.652   97.619   85.655
LGA    L    27_B      L    27_B     0.487     0    0.047   0.293     1.211   95.238   94.107
LGA    F    28_B      F    28_B     0.550     0    0.000   0.265     1.129   90.476   93.117
LGA    N    29_B      N    29_B     0.826     0    0.000   0.969     3.907   88.214   74.226
LGA    Q    30_B      Q    30_B     0.903     0    0.105   0.583     2.955   83.810   73.545
LGA    G    31_B      G    31_B     1.194     0    0.078   0.078     1.194   83.690   83.690
LGA    Y    32_B      Y    32_B     0.845     0    0.102   0.993     7.355   90.476   60.238
LGA    E    33_B      E    33_B     0.702     0    0.039   1.340     6.364   92.857   69.365
LGA    E    34_B      E    34_B     0.502     0    0.040   0.675     2.494   92.857   85.714
LGA    V    35_B      V    35_B     0.419     0    0.055   0.117     0.779  100.000   97.279
LGA    E    36_B      E    36_B     0.385     0    0.030   0.864     3.339   97.619   82.857
LGA    I    37_B      I    37_B     0.311     0    0.066   0.074     0.694  100.000   97.619
LGA    R    38_B      R    38_B     0.442     0    0.044   1.125     5.095  100.000   77.403
LGA    G    39_B      G    39_B     0.219     0    0.000   0.000     0.315  100.000  100.000
LGA    S    40_B      S    40_B     0.441     0    0.057   0.595     1.581  100.000   93.889
LGA    G    41_B      G    41_B     0.112     0    0.039   0.039     0.342  100.000  100.000
LGA    Q    42_B      Q    42_B     0.571     0    0.042   0.923     3.284   92.857   81.376
LGA    E    43_B      E    43_B     0.088     0    0.095   0.719     1.958  100.000   89.788
LGA    I    44_B      I    44_B     0.173     0    0.020   0.117     0.313  100.000  100.000
LGA    N    45_B      N    45_B     0.304     0    0.000   0.213     1.327  100.000   95.298
LGA    K    46_B      K    46_B     0.237     0    0.039   1.057     5.558  100.000   74.974
LGA    A    47_B      A    47_B     0.226     0    0.046   0.055     0.347  100.000  100.000
LGA    I    48_B      I    48_B     0.233     0    0.043   0.137     0.691  100.000   98.810
LGA    E    49_B      E    49_B     0.236     0    0.055   0.390     2.383  100.000   90.053
LGA    V    50_B      V    50_B     0.165     0    0.042   0.102     0.451  100.000  100.000
LGA    Y    51_B      Y    51_B     0.174     0    0.033   0.111     1.785  100.000   90.714
LGA    N    52_B      N    52_B     0.338     0    0.000   0.150     0.773  100.000   96.429
LGA    Q    53_B      Q    53_B     0.071     0    0.020   1.198     3.426  100.000   84.497
LGA    L    54_B      L    54_B     0.330     0    0.038   1.335     3.167  100.000   85.952
LGA    V    55_B      V    55_B     0.458     0    0.035   1.247     2.914   97.619   86.122
LGA    D    56_B      D    56_B     0.460     0    0.076   0.470     2.199   97.619   92.024
LGA    R    57_B      R    57_B     0.304     0    0.037   1.614     7.876  100.000   60.346
LGA    L    58_B      L    58_B     0.353     0    0.073   0.102     0.426  100.000  100.000
LGA    K    59_B      K    59_B     0.482     0    0.044   0.914     3.212  100.000   86.508
LGA    E    60_B      E    60_B     0.292     0    0.000   1.119     5.522  100.000   73.915
LGA    G    61_B      G    61_B     0.303     0    0.131   0.131     0.603   97.619   97.619
LGA    V    62_B      V    62_B     0.328     0    0.000   0.070     0.407  100.000  100.000
LGA    R    63_B      R    63_B     0.373     0    0.052   1.474     8.010  100.000   64.892
LGA    L    64_B      L    64_B     0.429     0    0.042   0.147     0.634   97.619   95.238
LGA    E    65_B      E    65_B     0.315     0    0.099   0.896     3.642   95.238   76.614
LGA    K    66_B      K    66_B     0.601     0    0.075   0.964     2.674   97.619   85.026
LGA    V    67_B      V    67_B     0.213     0    0.028   0.067     0.428  100.000  100.000
LGA    D    68_B      D    68_B     0.395     0    0.057   0.710     2.420   97.619   90.833
LGA    I    69_B      I    69_B     0.273     0    0.056   1.223     2.813  100.000   83.929
LGA    G    70_B      G    70_B     0.587     0    0.072   0.072     0.587   92.857   92.857
LGA    S    71_B      S    71_B     0.332     0    0.046   0.138     1.143   92.976   93.730
LGA    E    72_B      E    72_B     0.960     0    0.046   0.498     2.429   85.952   82.593
LGA    V    73_B      V    73_B     1.270     0    0.056   1.117     2.811   79.286   74.354
LGA    K    74_B      K    74_B     1.169     0    0.343   0.889     3.406   71.429   74.286
LGA    D    75_B      D    75_B     1.195     0    0.497   0.464     3.449   79.881   69.583
LGA    R    76_B      R    76_B     2.499     0    0.377   1.021    11.402   77.381   35.195
LGA    R    77_B      R    77_B     0.632     0    0.157   1.165     9.992   92.857   51.861
LGA    R    78_B      R    78_B     0.290     0    0.000   1.592     8.118  100.000   67.316
LGA    I    79_B      I    79_B     0.671     0    0.061   1.184     3.105   92.857   82.202
LGA    S    80_B      S    80_B     0.674     0    0.063   0.077     1.142   95.238   92.143
LGA    Y    81_B      Y    81_B     0.540     0    0.028   0.103     1.971   90.476   83.056
LGA    I    82_B      I    82_B     0.430     0    0.000   0.523     2.279   97.619   94.405
LGA    L    83_B      L    83_B     0.208     0    0.000   1.389     3.453  100.000   85.000
LGA    L    84_B      L    84_B     0.410     0    0.077   0.105     0.933   95.238   96.429
LGA    R    85_B      R    85_B     0.437     0    0.055   1.218     5.463  100.000   71.472
LGA    L    86_B      L    86_B     0.276     0    0.068   0.123     0.497  100.000  100.000
LGA    K    87_B      K    87_B     0.605     0    0.068   0.627     2.674   92.857   83.016
LGA    R    88_B      R    88_B     0.430     0    0.038   0.577     1.562   95.238   89.913
LGA    I    89_B      I    89_B     0.798     0    0.077   1.177     3.312   90.476   78.869
LGA    Y    90_B      Y    90_B     0.508     0    0.269   0.382     2.841   90.595   78.254

# 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):     1.041          1.022                  2.211           92.757   82.906

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    1.04    97.093    98.465     7.536

LGA_LOCAL      RMSD:   1.041  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.041  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.041  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.468031 * X  +  -0.404049 * Y  +  -0.785933 * Z  + -154.990891
  Y_new =  -0.752649 * X  +  -0.283807 * Y  +   0.594115 * Z  + -108.132927
  Z_new =  -0.463105 * X  +   0.869597 * Y  +  -0.171277 * Z  + 220.451920 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.127124  0.481495  1.765268   [DEG: -121.8752   27.5876  101.1424 ]
ZXZ: -2.218086  1.742922 -0.489348   [DEG: -127.0870   99.8621  -28.0376 ]
 
# END of job
