
#######################################################
#                                                     #
#                        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        4.17     4.17
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      11_A - 88_A        1.89     5.07
  LCS_AVERAGE:     89.90

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      12_A - 84_A        0.88     5.03
  LCS_AVERAGE:     77.95

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    8   83      0    4    4    7    8   11   12   12   15   15   17   25   30   39   45   48   52   55   77   78 
LCS_GDT     K     7_B     K     7_A      5    8   83      4    5    6    7    8    9   12   12   13   15   17   23   36   39   45   48   73   76   77   78 
LCS_GDT     P     8_B     P     8_A      5    8   83      4    5    6    7    8   11   12   16   17   22   45   50   53   76   76   77   77   77   78   79 
LCS_GDT     K     9_B     K     9_A      5    8   83      4    5    6    7    8   12   15   43   56   68   73   75   75   76   76   77   78   79   80   80 
LCS_GDT     A    10_B     A    10_A      5   77   83      3    5    6   15   31   42   58   68   74   75   75   75   75   76   77   78   79   79   80   80 
LCS_GDT     K    11_B     K    11_A      5   78   83      4    5   25   43   68   71   73   74   74   75   75   75   77   78   78   78   79   79   80   80 
LCS_GDT     R    12_B     R    12_A     73   78   83      9   55   67   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     T    13_B     T    13_A     73   78   83     20   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     W    14_B     W    14_A     73   78   83     36   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     S    15_B     S    15_A     73   78   83     28   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     K    16_B     K    16_A     73   78   83     37   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     E    17_B     E    17_A     73   78   83     37   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     E    18_B     E    18_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     E    19_B     E    19_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     E    20_B     E    20_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     A    21_B     A    21_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     L    22_B     L    22_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     V    23_B     V    23_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     E    24_B     E    24_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     G    25_B     G    25_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     L    26_B     L    26_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     K    27_B     K    27_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     E    28_B     E    28_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     V    29_B     V    29_A     73   78   83     34   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     G    30_B     G    30_A     73   78   83     33   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     P    31_B     P    31_A     73   78   83     30   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     S    32_B     S    32_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     W    33_B     W    33_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     S    34_B     S    34_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     K    35_B     K    35_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     I    36_B     I    36_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     L    37_B     L    37_A     73   78   83     36   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     D    38_B     D    38_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     L    39_B     L    39_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     Y    40_B     Y    40_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     G    41_B     G    41_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     P    42_B     P    42_A     73   78   83     37   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     G    43_B     G    43_A     73   78   83     28   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     G    44_B     G    44_A     73   78   83     23   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     K    45_B     K    45_A     73   78   83     11   48   67   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     I    46_B     I    46_A     73   78   83     12   48   67   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     T    47_B     T    47_A     73   78   83     14   55   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     E    48_B     E    48_A     73   78   83     33   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     N    49_B     N    49_A     73   78   83     12   58   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     L    50_B     L    50_A     73   78   83     14   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     K    51_B     K    51_A     73   78   83     19   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     N    52_B     N    52_A     73   78   83      9   59   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     R    53_B     R    53_A     73   78   83     23   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     T    54_B     T    54_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     Q    55_B     Q    55_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     V    56_B     V    56_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     Q    57_B     Q    57_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     L    58_B     L    58_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     K    59_B     K    59_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     D    60_B     D    60_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     K    61_B     K    61_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     A    62_B     A    62_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     R    63_B     R    63_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     N    64_B     N    64_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     W    65_B     W    65_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     K    66_B     K    66_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     L    67_B     L    67_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     Q    68_B     Q    68_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     Y    69_B     Y    69_A     73   78   83     26   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     L    70_B     L    70_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     K    71_B     K    71_A     73   78   83     28   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     S    72_B     S    72_A     73   78   83     10   47   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     G    73_B     G    73_A     73   78   83     10   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     K    74_B     K    74_A     73   78   83     10   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     P    75_B     P    75_A     73   78   83     10   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     L    76_B     L    76_A     73   78   83     28   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     P    77_B     P    77_A     73   78   83     14   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     D    78_B     D    78_A     73   78   83     14   59   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     Y    79_B     Y    79_A     73   78   83     19   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     L    80_B     L    80_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     I    81_B     I    81_A     73   78   83     38   60   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     K    82_B     K    82_A     73   78   83      4   55   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     V    83_B     V    83_A     73   78   83     10   58   68   72   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     T    84_B     T    84_A     73   78   83      4   18   53   71   73   73   73   74   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     G    85_B     G    85_A      3   78   83      3    3    3    5    9   23   51   67   73   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     N    86_B     N    86_A      3   78   83      3    3   22   32   41   49   68   70   74   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     L    87_B     L    87_A      3   78   83      3    3    3    3    3    7   27   66   73   75   77   77   77   78   78   78   79   79   80   80 
LCS_GDT     E    88_B     E    88_A      3   78   83      3    3    3    3    3   52   63   68   73   75   77   77   77   78   78   78   79   79   80   80 
LCS_AVERAGE  LCS_A:  89.28  (  77.95   89.90  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     38     60     68     72     73     73     73     74     74     75     77     77     77     78     78     78     79     79     80     80 
GDT PERCENT_AT  45.78  72.29  81.93  86.75  87.95  87.95  87.95  89.16  89.16  90.36  92.77  92.77  92.77  93.98  93.98  93.98  95.18  95.18  96.39  96.39
GDT RMS_LOCAL    0.33   0.56   0.69   0.81   0.88   0.88   0.88   1.13   1.13   1.37   1.72   1.72   1.72   1.89   1.89   1.89   2.24   2.24   2.71   2.71
GDT RMS_ALL_AT   5.09   5.03   5.01   5.00   5.03   5.03   5.03   4.89   4.89   5.14   5.23   5.23   5.23   5.07   5.07   5.07   4.84   4.84   4.58   4.58

# 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:  D    60_B      D    60_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    24.393     0    0.576   1.314    27.457    0.000    0.000
LGA    K     7_B      K     7_A    20.992     0    0.191   1.241    22.491    0.000    0.000
LGA    P     8_B      P     8_A    17.865     0    0.056   0.318    19.040    0.000    0.000
LGA    K     9_B      K     9_A    14.601     0    0.210   0.949    17.918    0.000    0.000
LGA    A    10_B      A    10_A    10.499     0    0.067   0.077    12.096    1.071    0.857
LGA    K    11_B      K    11_A     5.930     0    0.375   0.840    11.858   32.976   17.407
LGA    R    12_B      R    12_A     1.660     0    0.370   0.660     7.109   72.024   52.641
LGA    T    13_B      T    13_A     0.844     0    0.065   0.967     2.985   88.214   81.905
LGA    W    14_B      W    14_A     0.270     0    0.025   0.137     1.068  100.000   93.265
LGA    S    15_B      S    15_A     0.539     0    0.062   0.690     2.068   95.238   89.365
LGA    K    16_B      K    16_A     0.272     0    0.051   1.037     3.887  100.000   88.942
LGA    E    17_B      E    17_A     0.500     0    0.022   0.901     3.876   97.619   83.757
LGA    E    18_B      E    18_A     0.448     0    0.068   0.212     0.803   95.238   96.825
LGA    E    19_B      E    19_A     0.341     0    0.041   0.247     0.930  100.000   96.825
LGA    E    20_B      E    20_A     0.348     0    0.130   0.518     1.561   97.619   92.804
LGA    A    21_B      A    21_A     0.380     0    0.032   0.044     0.516   97.619   98.095
LGA    L    22_B      L    22_A     0.440     0    0.020   0.054     0.687   97.619   95.238
LGA    V    23_B      V    23_A     0.527     0    0.025   0.062     0.572   90.476   91.837
LGA    E    24_B      E    24_A     0.484     0    0.059   1.056     3.883   97.619   83.598
LGA    G    25_B      G    25_A     0.230     0    0.017   0.017     0.267  100.000  100.000
LGA    L    26_B      L    26_A     0.251     0    0.025   0.054     0.392  100.000  100.000
LGA    K    27_B      K    27_A     0.301     0    0.112   0.909     3.175  100.000   90.370
LGA    E    28_B      E    28_A     0.645     0    0.051   0.500     1.870   90.476   86.508
LGA    V    29_B      V    29_A     0.609     0    0.033   0.094     0.670   90.476   90.476
LGA    G    30_B      G    30_A     0.650     0    0.015   0.015     0.650   90.476   90.476
LGA    P    31_B      P    31_A     0.822     0    0.035   0.053     1.064   90.476   87.891
LGA    S    32_B      S    32_A     0.608     0    0.069   0.087     0.696   92.857   92.063
LGA    W    33_B      W    33_A     0.433     0    0.024   0.069     0.623   97.619   99.320
LGA    S    34_B      S    34_A     0.726     0    0.059   0.744     2.915   90.476   83.413
LGA    K    35_B      K    35_A     0.697     0    0.028   0.653     3.691   90.476   82.275
LGA    I    36_B      I    36_A     0.516     0    0.025   0.063     0.570   90.476   90.476
LGA    L    37_B      L    37_A     0.727     0    0.026   1.357     3.562   90.476   81.250
LGA    D    38_B      D    38_A     0.519     0    0.024   0.836     3.136   92.857   82.202
LGA    L    39_B      L    39_A     0.415     0    0.017   0.235     0.996  100.000   98.810
LGA    Y    40_B      Y    40_A     0.593     0    0.024   0.111     1.477   95.238   89.048
LGA    G    41_B      G    41_A     0.260     0    0.037   0.037     0.314  100.000  100.000
LGA    P    42_B      P    42_A     0.656     0    0.063   0.302     1.746   90.476   87.959
LGA    G    43_B      G    43_A     0.848     0    0.095   0.095     1.179   88.214   88.214
LGA    G    44_B      G    44_A     0.830     0    0.062   0.062     1.317   85.952   85.952
LGA    K    45_B      K    45_A     1.860     0    0.060   0.984     6.977   72.976   51.111
LGA    I    46_B      I    46_A     1.958     0    0.007   0.035     2.188   70.833   70.833
LGA    T    47_B      T    47_A     1.472     0    0.084   0.154     2.134   79.286   76.599
LGA    E    48_B      E    48_A     0.751     0    0.027   0.183     1.060   85.952   92.698
LGA    N    49_B      N    49_A     1.604     0    0.107   0.777     3.529   72.976   69.226
LGA    L    50_B      L    50_A     1.198     0    0.084   0.146     1.198   81.429   84.821
LGA    K    51_B      K    51_A     1.168     0    0.065   0.790     3.044   81.429   76.984
LGA    N    52_B      N    52_A     1.346     0    0.030   1.088     3.696   81.429   75.595
LGA    R    53_B      R    53_A     0.732     0    0.055   0.164     1.078   90.476   88.831
LGA    T    54_B      T    54_A     0.354     0    0.069   0.085     0.757   97.619   97.279
LGA    Q    55_B      Q    55_A     0.453     0    0.038   0.598     2.570   97.619   91.005
LGA    V    56_B      V    56_A     0.417     0    0.061   0.061     0.720  100.000   95.918
LGA    Q    57_B      Q    57_A     0.372     0    0.018   0.086     0.476  100.000  100.000
LGA    L    58_B      L    58_A     0.411     0    0.028   1.130     2.503   97.619   87.857
LGA    K    59_B      K    59_A     0.561     0    0.036   0.745     3.598   92.857   80.582
LGA    D    60_B      D    60_A     0.449     0    0.060   0.866     3.541  100.000   85.119
LGA    K    61_B      K    61_A     0.414     0    0.030   0.607     1.547   97.619   92.804
LGA    A    62_B      A    62_A     0.578     0    0.019   0.023     0.735   90.476   90.476
LGA    R    63_B      R    63_A     0.707     0    0.023   1.082     4.141   90.476   78.528
LGA    N    64_B      N    64_A     0.558     0    0.037   0.343     1.182   90.476   89.345
LGA    W    65_B      W    65_A     0.541     0    0.035   0.107     0.602   90.476   95.238
LGA    K    66_B      K    66_A     0.630     0    0.022   0.357     1.284   90.476   91.587
LGA    L    67_B      L    67_A     0.501     0    0.032   0.043     0.854   95.238   92.857
LGA    Q    68_B      Q    68_A     0.398     0    0.015   0.957     4.089  100.000   80.582
LGA    Y    69_B      Y    69_A     0.557     0    0.055   0.125     0.927   95.238   92.063
LGA    L    70_B      L    70_A     0.307     0    0.014   0.195     1.142   97.619   94.107
LGA    K    71_B      K    71_A     0.822     0    0.030   0.972     3.114   85.952   82.063
LGA    S    72_B      S    72_A     1.418     0    0.011   0.727     2.644   79.286   74.524
LGA    G    73_B      G    73_A     0.959     0    0.038   0.038     1.016   88.214   88.214
LGA    K    74_B      K    74_A     0.963     0    0.054   0.921     5.539   90.476   71.799
LGA    P    75_B      P    75_A     0.838     0    0.017   0.327     1.585   90.476   85.374
LGA    L    76_B      L    76_A     0.868     0    0.038   0.276     1.348   85.952   87.083
LGA    P    77_B      P    77_A     1.002     0    0.022   0.032     1.006   85.952   87.891
LGA    D    78_B      D    78_A     1.120     0    0.041   0.588     2.922   81.429   76.250
LGA    Y    79_B      Y    79_A     0.933     0    0.197   0.225     1.485   85.952   88.968
LGA    L    80_B      L    80_A     0.188     0    0.141   0.440     1.305  100.000   96.488
LGA    I    81_B      I    81_A     0.295     0    0.037   0.872     2.215   95.238   84.107
LGA    K    82_B      K    82_A     1.759     0    0.218   0.806     4.617   75.000   61.587
LGA    V    83_B      V    83_A     1.527     0    0.234   0.282     1.796   75.000   77.755
LGA    T    84_B      T    84_A     3.264     0    0.267   0.974     5.151   41.190   45.170
LGA    G    85_B      G    85_A     7.921     0    0.599   0.599     7.921   11.905   11.905
LGA    N    86_B      N    86_A     6.873     0    0.682   1.198     7.190   12.500   14.583
LGA    L    87_B      L    87_A     7.173     0    0.027   0.176    10.431   11.667    6.667
LGA    E    88_B      E    88_A     7.242     0    0.034   1.230    14.477   14.405    6.720

# 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):     4.168          4.072                  4.646           80.501   76.377

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     74    1.13    85.542    87.994     6.002

LGA_LOCAL      RMSD:   1.133  Number of atoms:   74  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.893  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   4.168  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.803647 * X  +  -0.190778 * Y  +  -0.563698 * Z  +  15.799939
  Y_new =  -0.550866 * X  +   0.596865 * Y  +   0.583351 * Z  +   1.575507
  Z_new =   0.225161 * X  +   0.779331 * Y  +  -0.584762 * Z  +  18.905241 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.540693 -0.227108  2.214514   [DEG: -145.5710  -13.0123  126.8823 ]
ZXZ: -2.373327  2.195383  0.281257   [DEG: -135.9816  125.7862   16.1148 ]
 
# END of job
