
#######################################################
#                                                     #
#                        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        0.72     0.72
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.72     0.72
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.72     0.72
  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      5   20   76   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     10   40   72   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     21   78   80   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     31   78   80   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     31   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     38   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     25   78   80   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     22   78   80   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     24   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     57   78   80   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     57   78   80   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     57   78   80   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     57   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     54   78   80   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     58   78   80   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     54   78   80   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     58   78   80   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      7   76   80   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      7   11   37   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      7   11   37   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      7   21   75   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      7   62   75   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     10   78   80   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     50   78   80   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     31   78   80   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     57   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     58   78   80   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     24   78   80   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   78   80   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      4   76   80   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     58     78     80     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  67.44  90.70  93.02 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.45   0.48   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72
GDT RMS_ALL_AT   0.77   0.76   0.76   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72

# 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:  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     1.840     0    0.598   0.666    11.575   72.024   40.899
LGA    P     6_B      P     6_B     1.841     0    0.012   0.315     3.543   75.000   65.374
LGA    N     7_B      N     7_B     0.696     0    0.040   0.140     1.527   92.976   88.393
LGA    E     8_B      E     8_B     0.877     0    0.067   0.847     6.222   88.333   64.709
LGA    I     9_B      I     9_B     1.184     0    0.146   0.600     1.555   79.286   79.286
LGA    V    10_B      V    10_B     0.738     0    0.039   0.082     1.121   90.476   89.184
LGA    I    11_B      I    11_B     0.383     0    0.049   0.118     0.676   95.238   97.619
LGA    T    12_B      T    12_B     0.678     0    0.089   0.124     1.118   90.476   86.599
LGA    K    13_B      K    13_B     0.365     0    0.106   0.860     4.318   95.238   81.058
LGA    S    14_B      S    14_B     1.048     0    0.099   0.100     1.412   85.952   84.444
LGA    K    15_B      K    15_B     0.151     0    0.103   0.653     1.668   95.238   87.619
LGA    R    16_B      R    16_B     0.098     0    0.045   0.134     1.173  100.000   93.203
LGA    I    17_B      I    17_B     0.370     0    0.024   0.072     0.553  100.000   98.810
LGA    E    18_B      E    18_B     0.402     0    0.034   0.101     0.664  100.000   95.767
LGA    D    19_B      D    19_B     0.470     0    0.030   0.178     0.941  100.000   95.238
LGA    Y    20_B      Y    20_B     0.279     0    0.021   0.113     0.464  100.000  100.000
LGA    V    21_B      V    21_B     0.198     0    0.010   0.038     0.280  100.000  100.000
LGA    L    22_B      L    22_B     0.270     0    0.053   1.357     2.927  100.000   85.893
LGA    D    23_B      D    23_B     0.291     0    0.020   0.164     0.399  100.000  100.000
LGA    T    24_B      T    24_B     0.170     0    0.008   0.019     0.303  100.000  100.000
LGA    I    25_B      I    25_B     0.179     0    0.037   0.138     0.850  100.000   97.619
LGA    I    26_B      I    26_B     0.161     0    0.029   0.044     0.541  100.000   98.810
LGA    L    27_B      L    27_B     0.170     0    0.030   0.111     0.417  100.000  100.000
LGA    F    28_B      F    28_B     0.310     0    0.019   0.154     0.617   97.619   97.403
LGA    N    29_B      N    29_B     0.450     0    0.026   1.403     4.434   97.619   78.512
LGA    Q    30_B      Q    30_B     0.389     0    0.040   0.052     0.577   95.238   97.884
LGA    G    31_B      G    31_B     1.041     0    0.009   0.009     1.120   85.952   85.952
LGA    Y    32_B      Y    32_B     0.737     0    0.143   0.156     1.325   88.214   89.722
LGA    E    33_B      E    33_B     0.720     0    0.009   0.725     2.849   90.476   80.053
LGA    E    34_B      E    34_B     0.133     0    0.020   0.134     1.149  100.000   95.820
LGA    V    35_B      V    35_B     0.275     0    0.045   0.047     0.370  100.000  100.000
LGA    E    36_B      E    36_B     0.251     0    0.057   0.110     0.726  100.000   96.825
LGA    I    37_B      I    37_B     0.580     0    0.012   0.063     0.816   92.857   91.667
LGA    R    38_B      R    38_B     0.599     0    0.087   0.471     2.880   92.857   82.814
LGA    G    39_B      G    39_B     0.510     0    0.028   0.028     0.629   92.857   92.857
LGA    S    40_B      S    40_B     0.625     0    0.086   0.654     2.027   95.238   87.857
LGA    G    41_B      G    41_B     0.255     0    0.027   0.027     0.452  100.000  100.000
LGA    Q    42_B      Q    42_B     0.102     0    0.086   0.860     2.534  100.000   90.106
LGA    E    43_B      E    43_B     0.336     0    0.028   0.855     2.847  100.000   86.402
LGA    I    44_B      I    44_B     0.268     0    0.018   0.061     0.372  100.000  100.000
LGA    N    45_B      N    45_B     0.258     0    0.017   1.104     4.220  100.000   84.345
LGA    K    46_B      K    46_B     0.324     0    0.023   0.071     0.428  100.000  100.000
LGA    A    47_B      A    47_B     0.058     0    0.011   0.013     0.165  100.000  100.000
LGA    I    48_B      I    48_B     0.134     0    0.046   0.666     1.970  100.000   95.417
LGA    E    49_B      E    49_B     0.188     0    0.044   1.062     4.110  100.000   79.577
LGA    V    50_B      V    50_B     0.181     0    0.035   0.057     0.378  100.000  100.000
LGA    Y    51_B      Y    51_B     0.072     0    0.034   0.083     0.550  100.000   98.413
LGA    N    52_B      N    52_B     0.321     0    0.083   0.114     0.504   97.619   98.810
LGA    Q    53_B      Q    53_B     0.294     0    0.036   1.060     2.915  100.000   87.037
LGA    L    54_B      L    54_B     0.113     0    0.012   0.056     0.175  100.000  100.000
LGA    V    55_B      V    55_B     0.161     0    0.035   0.053     0.451  100.000  100.000
LGA    D    56_B      D    56_B     0.236     0    0.017   0.769     2.978  100.000   84.881
LGA    R    57_B      R    57_B     0.409     0    0.018   1.529     9.301   95.238   54.589
LGA    L    58_B      L    58_B     0.399     0    0.013   0.055     0.582  100.000   97.619
LGA    K    59_B      K    59_B     0.424     0    0.031   1.119     4.283  100.000   80.212
LGA    E    60_B      E    60_B     0.415     0    0.060   0.848     2.993   97.619   86.190
LGA    G    61_B      G    61_B     0.391     0    0.072   0.072     0.457  100.000  100.000
LGA    V    62_B      V    62_B     0.254     0    0.052   1.230     2.925  100.000   88.844
LGA    R    63_B      R    63_B     0.191     0    0.025   0.165     1.392  100.000   94.848
LGA    L    64_B      L    64_B     0.281     0    0.026   0.075     0.459  100.000  100.000
LGA    E    65_B      E    65_B     0.418     0    0.017   0.638     2.205  100.000   88.889
LGA    K    66_B      K    66_B     0.443     0    0.040   0.738     4.188  100.000   83.280
LGA    V    67_B      V    67_B     0.575     0    0.039   0.044     0.804   90.476   90.476
LGA    D    68_B      D    68_B     0.976     0    0.080   0.209     1.506   90.476   86.012
LGA    I    69_B      I    69_B     0.577     0    0.068   0.067     0.831   90.476   90.476
LGA    G    70_B      G    70_B     0.988     0    0.042   0.042     0.988   90.476   90.476
LGA    S    71_B      S    71_B     0.465     0    0.091   0.646     3.169   90.595   83.810
LGA    E    72_B      E    72_B     1.082     0    0.100   0.856     3.926   85.952   68.571
LGA    V    73_B      V    73_B     2.092     0    0.093   0.096     3.212   61.071   59.388
LGA    K    74_B      K    74_B     2.016     0    0.040   0.876     4.253   72.976   61.217
LGA    D    75_B      D    75_B     1.859     0    0.028   0.840     4.526   75.000   60.595
LGA    R    76_B      R    76_B     1.805     0    0.081   1.056     2.983   75.000   70.779
LGA    R    77_B      R    77_B     0.671     0    0.030   0.763     3.580   88.214   80.000
LGA    R    78_B      R    78_B     0.755     0    0.032   0.806     6.004   88.214   60.476
LGA    I    79_B      I    79_B     1.198     0    0.169   1.112     2.998   83.690   74.286
LGA    S    80_B      S    80_B     0.785     0    0.018   0.057     1.407   92.857   90.556
LGA    Y    81_B      Y    81_B     0.552     0    0.009   0.083     1.521   90.476   85.992
LGA    I    82_B      I    82_B     0.417     0    0.019   0.038     0.479  100.000  100.000
LGA    L    83_B      L    83_B     0.473     0    0.039   0.083     0.812   97.619   94.048
LGA    L    84_B      L    84_B     0.264     0    0.074   0.100     0.744   97.619   98.810
LGA    R    85_B      R    85_B     0.077     0    0.063   1.313     5.486  100.000   78.701
LGA    L    86_B      L    86_B     0.181     0    0.018   0.056     0.493  100.000  100.000
LGA    K    87_B      K    87_B     0.415     0    0.039   0.378     2.172  100.000   92.011
LGA    R    88_B      R    88_B     0.725     0    0.014   1.341     7.298   90.476   61.299
LGA    I    89_B      I    89_B     0.693     0    0.648   0.782     3.082   78.095   80.119
LGA    Y    90_B      Y    90_B     1.024     0    0.087   1.517     5.280   59.762   50.119

# 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):     0.718          0.815                  1.731           93.828   87.158

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.72    97.674    98.745    10.518

LGA_LOCAL      RMSD:   0.718  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.718  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.718  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.610456 * X  +   0.791962 * Y  +   0.011770 * Z  +   7.967015
  Y_new =   0.300836 * X  +   0.218091 * Y  +   0.928404 * Z  +   9.197206
  Z_new =   0.732694 * X  +   0.570291 * Y  +  -0.371386 * Z  +  -4.929983 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.683718 -0.822272  2.148030   [DEG:  153.7657  -47.1127  123.0730 ]
ZXZ:  3.128916  1.951297  0.909398   [DEG:  179.2737  111.8011   52.1047 ]
 
# END of job
