
#######################################################
#                                                     #
#                        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        2.02     2.02
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       6_A - 87_A        1.84     2.02
  LONGEST_CONTINUOUS_SEGMENT:    82       7_A - 88_A        2.00     2.02
  LCS_AVERAGE:     98.80

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      10_A - 84_A        0.93     2.13
  LCS_AVERAGE:     83.15

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      5   82   83      0   17   45   72   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      5   82   83      4   10   33   54   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A      5   82   83      4   19   33   68   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A     74   82   83      4    6   25   35   67   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A     75   82   83      4   25   41   56   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     75   82   83     17   63   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     75   82   83     27   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     75   82   83     39   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     75   82   83     39   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     75   82   83     39   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     75   82   83     39   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     75   82   83     39   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     75   82   83     43   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     75   82   83     43   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     75   82   83     39   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     75   82   83     43   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     75   82   83     40   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     75   82   83     40   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     75   82   83     36   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     75   82   83     30   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     75   82   83     36   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     75   82   83     35   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     75   82   83     30   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     75   82   83     24   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     75   82   83     32   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     75   82   83     43   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     75   82   83     35   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     75   82   83     43   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     75   82   83     36   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     75   82   83     11   66   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     75   82   83     11   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     75   82   83     30   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     75   82   83     44   69   71   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     75   82   83      5   43   70   73   74   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     75   82   83      5   58   70   73   76   77   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     75   82   83      3    7   34   59   72   74   78   79   79   79   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A      4   82   83      3    5    9   25   34   48   67   72   75   77   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A      4   82   83      3    5    9   25   36   50   67   72   75   77   81   82   82   83   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      3   82   83      3    3    3    3   15   38   58   71   75   77   79   82   82   83   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      3   82   83      3    3    3    3    4    4    5   59   66   77   78   78   80   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  93.98  (  83.15   98.80  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     44     69     71     73     76     77     78     79     79     79     81     82     82     83     83     83     83     83     83     83 
GDT PERCENT_AT  53.01  83.13  85.54  87.95  91.57  92.77  93.98  95.18  95.18  95.18  97.59  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.53   0.58   0.66   1.10   1.13   1.23   1.32   1.32   1.32   1.69   1.84   1.84   2.02   2.02   2.02   2.02   2.02   2.02   2.02
GDT RMS_ALL_AT   2.24   2.17   2.16   2.16   2.13   2.12   2.13   2.11   2.11   2.11   2.04   2.02   2.02   2.02   2.02   2.02   2.02   2.02   2.02   2.02

# 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    28_B      E    28_A
#   possible swapping detected:  D    38_B      D    38_A
#   possible swapping detected:  E    48_B      E    48_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  D    78_B      D    78_A
#   possible swapping detected:  Y    79_B      Y    79_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     2.646     0    0.618   1.291     5.294   57.262   51.991
LGA    K     7_B      K     7_A     3.940     0    0.126   1.285     8.782   41.786   32.804
LGA    P     8_B      P     8_A     3.354     0    0.014   0.257     3.427   50.000   51.020
LGA    K     9_B      K     9_A     4.369     0    0.040   0.929     6.529   43.690   33.122
LGA    A    10_B      A    10_A     2.984     0    0.060   0.083     3.517   53.571   51.524
LGA    K    11_B      K    11_A     0.851     0    0.119   0.700     4.456   85.952   73.968
LGA    R    12_B      R    12_A     0.160     0    0.084   0.634     2.837   92.976   84.416
LGA    T    13_B      T    13_A     0.520     0    0.051   1.013     2.720   92.857   84.558
LGA    W    14_B      W    14_A     0.722     0    0.004   0.177     1.267   90.476   85.952
LGA    S    15_B      S    15_A     0.793     0    0.014   0.732     2.789   90.476   84.921
LGA    K    16_B      K    16_A     0.759     0    0.009   0.871     2.693   90.476   81.852
LGA    E    17_B      E    17_A     0.812     0    0.006   0.846     3.068   90.476   83.968
LGA    E    18_B      E    18_A     0.667     0    0.011   0.250     0.908   90.476   91.534
LGA    E    19_B      E    19_A     0.705     0    0.002   0.258     0.996   90.476   90.476
LGA    E    20_B      E    20_A     0.710     0    0.037   0.554     1.623   90.476   87.513
LGA    A    21_B      A    21_A     0.603     0    0.016   0.016     0.695   90.476   90.476
LGA    L    22_B      L    22_A     0.464     0    0.055   0.137     0.721  100.000   98.810
LGA    V    23_B      V    23_A     0.502     0    0.026   0.028     0.610   95.238   94.558
LGA    E    24_B      E    24_A     0.506     0    0.017   0.961     3.950   95.238   78.942
LGA    G    25_B      G    25_A     0.247     0    0.011   0.011     0.363  100.000  100.000
LGA    L    26_B      L    26_A     0.192     0    0.007   0.117     0.382  100.000  100.000
LGA    K    27_B      K    27_A     0.445     0    0.101   0.940     3.258   97.619   88.201
LGA    E    28_B      E    28_A     0.892     0    0.029   0.606     2.882   88.214   76.349
LGA    V    29_B      V    29_A     1.053     0    0.120   0.143     1.452   83.690   85.306
LGA    G    30_B      G    30_A     0.851     0    0.013   0.013     0.851   90.476   90.476
LGA    P    31_B      P    31_A     0.721     0    0.076   0.091     1.065   90.476   87.891
LGA    S    32_B      S    32_A     0.540     0    0.039   0.082     0.591   92.857   93.651
LGA    W    33_B      W    33_A     0.366     0    0.015   0.029     0.556   97.619   96.599
LGA    S    34_B      S    34_A     0.469     0    0.022   0.723     2.830  100.000   91.270
LGA    K    35_B      K    35_A     0.312     0    0.031   0.782     3.990  100.000   80.476
LGA    I    36_B      I    36_A     0.263     0    0.032   0.073     0.612   97.619   98.810
LGA    L    37_B      L    37_A     0.925     0    0.064   1.223     3.831   88.214   81.190
LGA    D    38_B      D    38_A     1.060     0    0.017   0.927     3.265   83.690   76.488
LGA    L    39_B      L    39_A     0.960     0    0.059   0.202     1.279   88.214   88.214
LGA    Y    40_B      Y    40_A     0.921     0    0.041   0.117     1.310   88.214   87.460
LGA    G    41_B      G    41_A     0.853     0    0.008   0.008     0.947   90.476   90.476
LGA    P    42_B      P    42_A     0.947     0    0.061   0.248     1.168   88.214   89.184
LGA    G    43_B      G    43_A     0.904     0    0.035   0.035     0.904   90.476   90.476
LGA    G    44_B      G    44_A     0.650     0    0.016   0.016     1.159   88.214   88.214
LGA    K    45_B      K    45_A     1.187     0    0.011   0.687     3.147   81.429   73.333
LGA    I    46_B      I    46_A     1.397     0    0.016   0.281     1.697   77.143   78.214
LGA    T    47_B      T    47_A     1.517     0    0.079   0.251     1.697   75.000   76.531
LGA    E    48_B      E    48_A     1.261     0    0.049   0.321     1.354   81.429   84.444
LGA    N    49_B      N    49_A     1.574     0    0.063   0.392     2.812   75.000   73.036
LGA    L    50_B      L    50_A     1.308     0    0.031   0.070     1.356   81.429   81.429
LGA    K    51_B      K    51_A     1.141     0    0.065   0.645     1.528   81.429   79.524
LGA    N    52_B      N    52_A     1.225     0    0.027   1.102     3.661   81.429   75.595
LGA    R    53_B      R    53_A     0.637     0    0.088   0.131     1.358   90.476   87.186
LGA    T    54_B      T    54_A     0.598     0    0.023   0.131     0.824   90.476   91.837
LGA    Q    55_B      Q    55_A     0.500     0    0.014   0.097     0.915   92.857   92.593
LGA    V    56_B      V    56_A     0.630     0    0.046   0.043     0.933   90.476   93.197
LGA    Q    57_B      Q    57_A     0.912     0    0.014   0.071     1.183   90.476   89.471
LGA    L    58_B      L    58_A     0.813     0    0.006   0.320     1.151   90.476   89.345
LGA    K    59_B      K    59_A     0.735     0    0.043   0.689     3.817   90.476   77.672
LGA    D    60_B      D    60_A     0.990     0    0.057   0.563     1.765   85.952   83.750
LGA    K    61_B      K    61_A     1.016     0    0.003   0.551     1.492   85.952   84.444
LGA    A    62_B      A    62_A     0.807     0    0.006   0.008     0.882   90.476   90.476
LGA    R    63_B      R    63_A     0.837     0    0.012   0.989     5.082   90.476   76.926
LGA    N    64_B      N    64_A     1.161     0    0.006   0.111     1.684   81.429   80.357
LGA    W    65_B      W    65_A     0.856     0    0.019   0.205     1.036   88.214   89.184
LGA    K    66_B      K    66_A     0.566     0    0.011   0.173     1.522   92.857   90.635
LGA    L    67_B      L    67_A     0.804     0    0.030   0.060     1.175   90.476   87.083
LGA    Q    68_B      Q    68_A     0.909     0    0.035   0.862     4.344   90.476   72.116
LGA    Y    69_B      Y    69_A     0.507     0    0.013   0.160     0.870   95.238   92.063
LGA    L    70_B      L    70_A     0.323     0    0.020   0.144     0.882   97.619   94.048
LGA    K    71_B      K    71_A     0.473     0    0.034   1.038     3.794   95.238   85.767
LGA    S    72_B      S    72_A     0.905     0    0.123   0.686     1.900   88.333   84.603
LGA    G    73_B      G    73_A     0.982     0    0.065   0.065     1.348   88.214   88.214
LGA    K    74_B      K    74_A     0.845     0    0.004   0.971     5.473   90.476   73.333
LGA    P    75_B      P    75_A     0.392     0    0.016   0.312     1.381   97.619   94.626
LGA    L    76_B      L    76_A     0.256     0    0.024   0.988     2.806  100.000   90.238
LGA    P    77_B      P    77_A     0.221     0    0.033   0.212     0.472  100.000  100.000
LGA    D    78_B      D    78_A     0.305     0    0.015   0.540     1.559  100.000   95.417
LGA    Y    79_B      Y    79_A     0.348     0    0.163   0.160     0.878   97.619   96.032
LGA    L    80_B      L    80_A     0.504     0    0.133   0.287     0.797   92.857   92.857
LGA    I    81_B      I    81_A     0.786     0    0.043   0.664     2.134   83.810   80.536
LGA    K    82_B      K    82_A     2.456     0    0.141   0.736     4.590   64.881   52.381
LGA    V    83_B      V    83_A     1.991     0    0.086   0.224     2.335   70.833   72.925
LGA    T    84_B      T    84_A     4.385     0    0.073   0.128     8.344   27.976   20.544
LGA    G    85_B      G    85_A     6.881     0    0.093   0.093     6.881   19.762   19.762
LGA    N    86_B      N    86_A     7.438     0    0.499   1.191     7.937   10.000   10.952
LGA    L    87_B      L    87_A     7.562     0    0.042   0.505    11.058    8.571    5.357
LGA    E    88_B      E    88_A     8.434     0    0.013   1.176    16.095    6.667    2.963

# 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):     2.017          1.981                  2.441           82.876   79.086

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     79    1.32    91.566    94.230     5.572

LGA_LOCAL      RMSD:   1.318  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.106  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.017  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.654310 * X  +  -0.754887 * Y  +  -0.044994 * Z  +  14.774908
  Y_new =  -0.755881 * X  +   0.651057 * Y  +   0.069054 * Z  +   5.979602
  Z_new =  -0.022835 * X  +   0.079193 * Y  +  -0.996598 * Z  +  15.013304 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.284292  0.022837  3.062296   [DEG: -130.8803    1.3085  175.4566 ]
ZXZ: -2.564116  3.059079 -0.280729   [DEG: -146.9130  175.2723  -16.0846 ]
 
# END of job
