
#######################################################
#                                                     #
#                        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  102 (  824),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        1.24     1.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        1.24     1.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       7_A - 88_A        0.98     1.25
  LCS_AVERAGE:     97.66

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R     6_B     R     6_A      4   83   83      0    3    5    5    6    8   33   51   78   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A     82   83   83      3    4    9   33   68   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A     82   83   83      3    4    7   14   61   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A     82   83   83      3    4    5    7   78   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A     82   83   83      3   48   70   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     82   83   83      3   71   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     82   83   83     62   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     82   83   83     59   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     82   83   83     36   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     82   83   83     66   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     82   83   83     62   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     82   83   83     28   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     82   83   83     60   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     82   83   83     20   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A     82   83   83     33   74   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A     82   83   83      5   57   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A     82   83   83      5   66   77   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A     82   83   83      5    5    8   78   79   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  99.22  (  97.66  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     66     74     77     78     79     82     82     82     82     83     83     83     83     83     83     83     83     83     83     83 
GDT PERCENT_AT  79.52  89.16  92.77  93.98  95.18  98.80  98.80  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.41   0.51   0.59   0.68   0.98   0.98   0.98   0.98   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24
GDT RMS_ALL_AT   1.36   1.32   1.29   1.31   1.28   1.25   1.25   1.25   1.25   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24

# Checking swapping
#   possible swapping detected:  E    17_B      E    17_A
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    19_B      E    19_A
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  E    24_B      E    24_A
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  D    38_B      D    38_A
#   possible swapping detected:  Y    40_B      Y    40_A
#   possible swapping detected:  E    48_B      E    48_A
#   possible swapping detected:  D    60_B      D    60_A
#   possible swapping detected:  E    88_B      E    88_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A     7.218     0    0.650   1.342    13.362   11.310    4.372
LGA    K     7_B      K     7_A     3.869     0    0.115   1.256     5.854   41.786   42.698
LGA    P     8_B      P     8_A     3.952     0    0.015   0.235     4.330   50.357   44.694
LGA    K     9_B      K     9_A     3.101     0    0.038   1.002     5.183   55.357   44.074
LGA    A    10_B      A    10_A     2.621     0    0.067   0.091     3.121   55.357   54.286
LGA    K    11_B      K    11_A     1.240     0    0.096   0.698     3.631   79.286   76.243
LGA    R    12_B      R    12_A     0.668     0    0.089   0.879     4.727   92.857   76.710
LGA    T    13_B      T    13_A     0.662     0    0.030   0.144     0.925   90.476   91.837
LGA    W    14_B      W    14_A     0.470     0    0.024   0.143     1.002   92.857   92.551
LGA    S    15_B      S    15_A     0.633     0    0.015   0.715     1.951   90.476   87.540
LGA    K    16_B      K    16_A     0.532     0    0.003   0.900     3.318   92.857   84.392
LGA    E    17_B      E    17_A     0.563     0    0.005   0.865     3.926   90.476   77.831
LGA    E    18_B      E    18_A     0.407     0    0.010   0.070     0.674  100.000   96.825
LGA    E    19_B      E    19_A     0.320     0    0.004   0.258     0.848  100.000   97.884
LGA    E    20_B      E    20_A     0.414     0    0.043   0.449     1.950   97.619   93.810
LGA    A    21_B      A    21_A     0.381     0    0.018   0.017     0.381  100.000  100.000
LGA    L    22_B      L    22_A     0.233     0    0.049   0.055     0.471  100.000  100.000
LGA    V    23_B      V    23_A     0.375     0    0.028   0.044     0.485  100.000  100.000
LGA    E    24_B      E    24_A     0.340     0    0.012   0.286     0.926  100.000   96.825
LGA    G    25_B      G    25_A     0.305     0    0.015   0.015     0.305  100.000  100.000
LGA    L    26_B      L    26_A     0.318     0    0.007   0.086     0.412  100.000  100.000
LGA    K    27_B      K    27_A     0.289     0    0.092   0.930     2.906   97.619   91.058
LGA    E    28_B      E    28_A     0.253     0    0.031   0.264     1.187  100.000   96.878
LGA    V    29_B      V    29_A     0.202     0    0.048   0.077     0.363  100.000  100.000
LGA    G    30_B      G    30_A     0.272     0    0.022   0.022     0.272  100.000  100.000
LGA    P    31_B      P    31_A     0.346     0    0.097   0.122     0.504  100.000   98.639
LGA    S    32_B      S    32_A     0.439     0    0.025   0.105     0.823  100.000   98.413
LGA    W    33_B      W    33_A     0.262     0    0.022   0.039     0.622  100.000   96.599
LGA    S    34_B      S    34_A     0.141     0    0.009   0.628     2.378  100.000   94.127
LGA    K    35_B      K    35_A     0.248     0    0.008   0.657     2.259  100.000   95.026
LGA    I    36_B      I    36_A     0.239     0    0.036   0.070     0.345  100.000  100.000
LGA    L    37_B      L    37_A     0.384     0    0.018   0.099     0.713  100.000   97.619
LGA    D    38_B      D    38_A     0.376     0    0.009   0.889     3.236  100.000   86.964
LGA    L    39_B      L    39_A     0.232     0    0.041   0.177     0.466  100.000  100.000
LGA    Y    40_B      Y    40_A     0.188     0    0.053   0.047     0.479  100.000  100.000
LGA    G    41_B      G    41_A     0.050     0    0.014   0.014     0.198  100.000  100.000
LGA    P    42_B      P    42_A     0.117     0    0.051   0.249     0.645  100.000   98.639
LGA    G    43_B      G    43_A     0.393     0    0.028   0.028     0.424  100.000  100.000
LGA    G    44_B      G    44_A     0.328     0    0.014   0.014     0.385  100.000  100.000
LGA    K    45_B      K    45_A     0.339     0    0.038   0.596     2.166   97.619   88.995
LGA    I    46_B      I    46_A     0.353     0    0.022   0.086     0.651  100.000   96.429
LGA    T    47_B      T    47_A     0.326     0    0.047   0.163     0.744   97.619   98.639
LGA    E    48_B      E    48_A     0.193     0    0.076   0.361     1.204  100.000   96.878
LGA    N    49_B      N    49_A     0.318     0    0.050   0.231     0.745   97.619   96.429
LGA    L    50_B      L    50_A     0.403     0    0.040   0.063     0.444  100.000  100.000
LGA    K    51_B      K    51_A     0.377     0    0.054   0.604     2.255  100.000   96.085
LGA    N    52_B      N    52_A     0.549     0    0.017   1.125     2.580   92.857   84.286
LGA    R    53_B      R    53_A     0.511     0    0.073   0.205     1.264   92.857   90.519
LGA    T    54_B      T    54_A     0.211     0    0.010   0.014     0.498  100.000  100.000
LGA    Q    55_B      Q    55_A     0.390     0    0.003   0.206     0.553  100.000   98.942
LGA    V    56_B      V    56_A     0.652     0    0.041   0.035     1.120   95.238   91.905
LGA    Q    57_B      Q    57_A     0.372     0    0.008   0.263     0.696  100.000   97.884
LGA    L    58_B      L    58_A     0.314     0    0.007   0.114     0.666  100.000   98.810
LGA    K    59_B      K    59_A     0.543     0    0.045   0.721     3.687   97.619   84.656
LGA    D    60_B      D    60_A     0.387     0    0.058   0.639     2.247  100.000   93.214
LGA    K    61_B      K    61_A     0.252     0    0.003   0.535     1.636  100.000   94.921
LGA    A    62_B      A    62_A     0.365     0    0.013   0.012     0.429  100.000  100.000
LGA    R    63_B      R    63_A     0.414     0    0.007   1.024     4.198   97.619   86.017
LGA    N    64_B      N    64_A     0.469     0    0.006   0.113     0.709   97.619   95.238
LGA    W    65_B      W    65_A     0.507     0    0.020   0.069     0.655   95.238   96.599
LGA    K    66_B      K    66_A     0.553     0    0.027   0.129     0.566   90.476   94.709
LGA    L    67_B      L    67_A     0.518     0    0.015   0.035     0.627   92.857   92.857
LGA    Q    68_B      Q    68_A     0.862     0    0.033   0.165     1.573   90.476   85.503
LGA    Y    69_B      Y    69_A     0.815     0    0.010   0.126     0.871   90.476   90.476
LGA    L    70_B      L    70_A     0.632     0    0.015   0.121     0.819   90.476   90.476
LGA    K    71_B      K    71_A     0.586     0    0.010   1.395     6.825   90.476   69.947
LGA    S    72_B      S    72_A     1.001     0    0.063   0.096     1.126   83.690   85.952
LGA    G    73_B      G    73_A     1.055     0    0.043   0.043     1.267   81.429   81.429
LGA    K    74_B      K    74_A     0.891     0    0.011   0.986     5.045   90.476   74.339
LGA    P    75_B      P    75_A     0.809     0    0.015   0.290     1.376   90.476   89.184
LGA    L    76_B      L    76_A     0.682     0    0.029   0.370     1.827   90.476   88.274
LGA    P    77_B      P    77_A     0.481     0    0.034   0.253     0.831   92.857   94.558
LGA    D    78_B      D    78_A     0.516     0    0.016   0.754     2.264   92.857   86.250
LGA    Y    79_B      Y    79_A     0.533     0    0.099   0.091     1.190   95.238   90.556
LGA    L    80_B      L    80_A     0.552     0    0.052   0.114     0.814   95.238   92.857
LGA    I    81_B      I    81_A     0.527     0    0.016   0.641     2.135   95.238   89.643
LGA    K    82_B      K    82_A     0.787     0    0.096   0.698     2.134   95.238   83.810
LGA    V    83_B      V    83_A     0.333     0    0.007   0.068     0.517  100.000   98.639
LGA    T    84_B      T    84_A     0.809     0    0.047   1.097     3.473   90.476   79.728
LGA    G    85_B      G    85_A     0.848     0    0.021   0.021     0.848   90.476   90.476
LGA    N    86_B      N    86_A     1.439     0    0.020   0.865     3.756   79.286   71.369
LGA    L    87_B      L    87_A     1.230     0    0.059   0.091     2.167   75.119   80.536
LGA    E    88_B      E    88_A     2.724     0    0.018   1.266     9.762   66.905   38.042

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     1.237          1.216                  1.831           92.184   88.465

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     82    0.98    95.482    97.601     7.628

LGA_LOCAL      RMSD:   0.975  Number of atoms:   82  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.252  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   1.237  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.608643 * X  +   0.711976 * Y  +   0.350205 * Z  +  13.440823
  Y_new =   0.608748 * X  +   0.135930 * Y  +   0.781632 * Z  +   2.960397
  Z_new =   0.508900 * X  +   0.688922 * Y  +  -0.516147 * Z  +  16.346689 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.356108 -0.533906  2.213791   [DEG:  134.9951  -30.5906  126.8409 ]
ZXZ:  2.720367  2.113142  0.636223   [DEG:  155.8655  121.0741   36.4529 ]
 
# END of job
