
#######################################################
#                                                     #
#                        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        4.65     4.65
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      12_A - 85_A        1.92     4.98
  LONGEST_CONTINUOUS_SEGMENT:    74      13_A - 86_A        1.96     4.99
  LCS_AVERAGE:     83.47

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      12_A - 46_A        0.98     4.91
  LONGEST_CONTINUOUS_SEGMENT:    35      13_A - 47_A        0.93     4.89
  LCS_AVERAGE:     28.60

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      3    5   83      0    0    3    3    4    5    6    6    6    8   10   12   14   15   16   17   17   20   22   25 
LCS_GDT     K     7_B     K     7_A      3    5   83      0    3    3    3    4    5    6    6    9   10   10   12   14   28   33   37   39   61   75   76 
LCS_GDT     P     8_B     P     8_A      3    5   83      3    3    3    3    4    5    6    6    6   10   10   12   21   28   70   74   76   77   79   79 
LCS_GDT     K     9_B     K     9_A      3   38   83      3    3    3   15   30   36   48   61   68   72   73   74   75   76   78   78   78   78   79   79 
LCS_GDT     A    10_B     A    10_A      3   64   83      3    3    4    6   30   37   48   60   69   72   73   74   75   76   78   78   78   78   79   79 
LCS_GDT     K    11_B     K    11_A      5   73   83      4    5   18   30   39   56   69   70   71   72   73   75   76   76   78   78   78   78   79   79 
LCS_GDT     R    12_B     R    12_A     35   74   83      4   11   28   37   60   68   69   70   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     T    13_B     T    13_A     35   74   83     13   32   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     W    14_B     W    14_A     35   74   83     17   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     S    15_B     S    15_A     35   74   83     17   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     K    16_B     K    16_A     35   74   83     17   39   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     E    17_B     E    17_A     35   74   83     17   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     E    18_B     E    18_A     35   74   83     20   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     E    19_B     E    19_A     35   74   83     20   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     E    20_B     E    20_A     35   74   83     20   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     A    21_B     A    21_A     35   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     L    22_B     L    22_A     35   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     V    23_B     V    23_A     35   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     E    24_B     E    24_A     35   74   83     17   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     G    25_B     G    25_A     35   74   83     17   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     L    26_B     L    26_A     35   74   83     17   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     K    27_B     K    27_A     35   74   83     17   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     E    28_B     E    28_A     35   74   83     17   40   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     V    29_B     V    29_A     35   74   83     17   38   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     G    30_B     G    30_A     35   74   83      7   28   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     P    31_B     P    31_A     35   74   83     12   36   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     S    32_B     S    32_A     35   74   83      8   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     W    33_B     W    33_A     35   74   83     13   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     S    34_B     S    34_A     35   74   83     13   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     K    35_B     K    35_A     35   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     I    36_B     I    36_A     35   74   83     19   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     L    37_B     L    37_A     35   74   83     14   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     D    38_B     D    38_A     35   74   83     13   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     L    39_B     L    39_A     35   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     Y    40_B     Y    40_A     35   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     G    41_B     G    41_A     35   74   83     20   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     P    42_B     P    42_A     35   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     G    43_B     G    43_A     35   74   83      4   12   38   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     G    44_B     G    44_A     35   74   83      4   34   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     K    45_B     K    45_A     35   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     I    46_B     I    46_A     35   74   83     13   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     T    47_B     T    47_A     35   74   83      4    6   31   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     E    48_B     E    48_A     23   74   83      0    6   20   43   60   67   69   70   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     N    49_B     N    49_A     24   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     L    50_B     L    50_A     24   74   83     11   43   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     K    51_B     K    51_A     24   74   83      3   14   34   61   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     N    52_B     N    52_A     24   74   83      5   37   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     R    53_B     R    53_A     24   74   83     17   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     T    54_B     T    54_A     24   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     Q    55_B     Q    55_A     24   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     V    56_B     V    56_A     24   74   83     15   43   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     Q    57_B     Q    57_A     24   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     L    58_B     L    58_A     24   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     K    59_B     K    59_A     24   74   83     20   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     D    60_B     D    60_A     24   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     K    61_B     K    61_A     24   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     A    62_B     A    62_A     24   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     R    63_B     R    63_A     24   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     N    64_B     N    64_A     24   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     W    65_B     W    65_A     24   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     K    66_B     K    66_A     24   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     L    67_B     L    67_A     24   74   83     21   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     Q    68_B     Q    68_A     24   74   83     19   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     Y    69_B     Y    69_A     24   74   83      8   34   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     L    70_B     L    70_A     24   74   83      7   33   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     K    71_B     K    71_A     24   74   83      7   33   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     S    72_B     S    72_A     24   74   83      5   34   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     G    73_B     G    73_A      6   74   83      4    6    9   19   45   58   67   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     K    74_B     K    74_A      6   74   83      4    6    9   19   29   50   65   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     P    75_B     P    75_A      7   74   83      4    7   10   17   24   36   47   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     L    76_B     L    76_A      7   74   83      3    6   10   17   24   40   66   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     P    77_B     P    77_A      7   74   83      5   18   50   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     D    78_B     D    78_A      7   74   83      5   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     Y    79_B     Y    79_A      7   74   83      5   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     L    80_B     L    80_A      7   74   83     12   44   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     I    81_B     I    81_A      7   74   83      5   21   46   63   66   67   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     K    82_B     K    82_A      5   74   83      4    5   26   62   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     V    83_B     V    83_A      5   74   83     14   29   57   63   66   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     T    84_B     T    84_A      4   74   83      5   18   28   38   59   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     G    85_B     G    85_A      4   74   83      3   18   33   59   65   68   69   71   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     N    86_B     N    86_A      4   74   83      3    4    6    6   30   47   53   69   72   75   75   75   76   76   78   78   78   78   79   79 
LCS_GDT     L    87_B     L    87_A      4    5   83      3    4    4    5    5    5    9   11   12   13   15   16   30   33   55   60   75   76   77   78 
LCS_GDT     E    88_B     E    88_A      4    5   83      3    4    4    5    5    5    7   11   12   13   14   16   17   29   35   60   63   65   71   77 
LCS_AVERAGE  LCS_A:  70.69  (  28.60   83.47  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     21     44     57     63     66     68     69     71     72     75     75     75     76     76     78     78     78     78     79     79 
GDT PERCENT_AT  25.30  53.01  68.67  75.90  79.52  81.93  83.13  85.54  86.75  90.36  90.36  90.36  91.57  91.57  93.98  93.98  93.98  93.98  95.18  95.18
GDT RMS_LOCAL    0.36   0.66   0.89   1.06   1.16   1.36   1.38   1.78   1.73   2.02   2.02   2.02   2.13   2.13   2.55   2.55   2.55   2.55   2.92   2.92
GDT RMS_ALL_AT   4.94   4.94   4.90   4.92   4.91   4.89   4.90   5.02   4.95   4.99   4.99   4.99   4.96   4.96   4.83   4.83   4.83   4.83   4.76   4.76

# 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:  D    38_B      D    38_A
#   possible swapping detected:  Y    40_B      Y    40_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    24.973     0    0.659   1.297    28.942    0.000    0.000
LGA    K     7_B      K     7_A    18.885     0    0.419   1.201    21.626    0.000    0.000
LGA    P     8_B      P     8_A    14.078     0    0.666   0.613    15.637    0.000    0.000
LGA    K     9_B      K     9_A    10.162     0    0.603   1.040    17.141    5.476    2.434
LGA    A    10_B      A    10_A     9.279     0    0.595   0.609    11.893    4.048    3.238
LGA    K    11_B      K    11_A     6.379     0    0.676   1.064    10.390   13.095   11.217
LGA    R    12_B      R    12_A     4.614     0    0.210   1.164     6.366   35.833   28.485
LGA    T    13_B      T    13_A     1.743     0    0.053   1.017     3.491   66.905   66.190
LGA    W    14_B      W    14_A     1.020     0    0.145   1.091     7.872   81.429   58.741
LGA    S    15_B      S    15_A     1.254     0    0.064   0.094     1.386   81.429   81.429
LGA    K    16_B      K    16_A     1.720     0    0.034   1.185     6.808   72.857   56.561
LGA    E    17_B      E    17_A     1.649     0    0.029   0.767     2.051   77.143   74.868
LGA    E    18_B      E    18_A     1.007     0    0.040   0.346     1.281   85.952   86.455
LGA    E    19_B      E    19_A     1.149     0    0.029   0.354     1.817   81.429   82.487
LGA    E    20_B      E    20_A     1.222     0    0.060   0.185     1.680   81.429   79.524
LGA    A    21_B      A    21_A     0.946     0    0.051   0.050     0.987   90.476   90.476
LGA    L    22_B      L    22_A     0.658     0    0.084   0.161     1.062   92.857   90.536
LGA    V    23_B      V    23_A     0.972     0    0.032   0.036     1.347   90.476   86.599
LGA    E    24_B      E    24_A     0.928     0    0.031   0.927     3.041   90.476   79.153
LGA    G    25_B      G    25_A     0.480     0    0.029   0.029     0.654   97.619   97.619
LGA    L    26_B      L    26_A     0.513     0    0.052   0.169     0.801   92.857   92.857
LGA    K    27_B      K    27_A     0.538     0    0.130   0.937     3.486   92.857   85.238
LGA    E    28_B      E    28_A     0.436     0    0.055   0.835     3.374   95.238   76.984
LGA    V    29_B      V    29_A     0.770     0    0.302   1.212     2.758   77.738   78.231
LGA    G    30_B      G    30_A     1.732     0    0.078   0.078     1.732   79.286   79.286
LGA    P    31_B      P    31_A     0.946     0    0.305   0.829     2.047   81.786   81.633
LGA    S    32_B      S    32_A     1.264     0    0.107   0.710     3.798   88.333   76.905
LGA    W    33_B      W    33_A     0.778     0    0.028   1.149     4.529   88.214   70.544
LGA    S    34_B      S    34_A     1.363     0    0.026   0.656     3.421   81.429   74.762
LGA    K    35_B      K    35_A     0.900     0    0.031   0.632     1.713   88.214   81.587
LGA    I    36_B      I    36_A     0.630     0    0.021   0.091     0.893   90.476   90.476
LGA    L    37_B      L    37_A     0.938     0    0.087   1.394     2.835   88.214   79.881
LGA    D    38_B      D    38_A     1.087     0    0.072   1.086     3.349   85.952   75.655
LGA    L    39_B      L    39_A     0.744     0    0.066   1.396     3.044   90.476   81.071
LGA    Y    40_B      Y    40_A     0.618     0    0.211   0.344     2.000   81.786   83.214
LGA    G    41_B      G    41_A     1.140     0    0.069   0.069     1.140   88.214   88.214
LGA    P    42_B      P    42_A     0.827     0    0.648   1.015     2.874   82.143   79.660
LGA    G    43_B      G    43_A     1.775     0    0.167   0.167     1.775   81.667   81.667
LGA    G    44_B      G    44_A     1.380     0    0.474   0.474     1.427   85.952   85.952
LGA    K    45_B      K    45_A     0.570     0    0.084   0.576     2.591   90.595   83.069
LGA    I    46_B      I    46_A     0.192     0    0.571   0.633     2.724   84.524   82.024
LGA    T    47_B      T    47_A     2.159     0    0.447   1.362     6.686   51.429   41.088
LGA    E    48_B      E    48_A     4.138     0    0.598   1.198    13.133   42.143   20.741
LGA    N    49_B      N    49_A     1.231     0    0.644   0.741     3.966   71.429   66.548
LGA    L    50_B      L    50_A     1.780     0    0.133   1.296     2.991   70.833   73.155
LGA    K    51_B      K    51_A     3.120     0    0.727   1.012     7.026   48.929   39.524
LGA    N    52_B      N    52_A     0.944     0    0.099   1.039     3.161   88.214   79.821
LGA    R    53_B      R    53_A     1.186     0    0.066   1.019     5.221   85.952   65.238
LGA    T    54_B      T    54_A     1.148     0    0.046   0.052     1.831   85.952   80.340
LGA    Q    55_B      Q    55_A     1.318     0    0.036   0.913     3.782   81.429   69.947
LGA    V    56_B      V    56_A     2.039     0    0.041   0.044     3.000   70.833   64.966
LGA    Q    57_B      Q    57_A     1.351     0    0.031   0.900     3.164   83.810   75.238
LGA    L    58_B      L    58_A     0.593     0    0.030   0.222     0.988   90.476   90.476
LGA    K    59_B      K    59_A     1.445     0    0.021   1.227     6.260   81.429   61.799
LGA    D    60_B      D    60_A     1.153     0    0.078   0.221     2.358   88.333   80.655
LGA    K    61_B      K    61_A     0.203     0    0.047   1.393     6.735   97.619   77.778
LGA    A    62_B      A    62_A     0.950     0    0.047   0.047     1.207   85.952   85.048
LGA    R    63_B      R    63_A     1.154     0    0.017   1.200     4.985   83.690   72.424
LGA    N    64_B      N    64_A     0.401     0    0.038   0.217     0.703   92.857   95.238
LGA    W    65_B      W    65_A     0.917     0    0.069   0.146     1.162   85.952   85.952
LGA    K    66_B      K    66_A     1.398     0    0.055   0.954     4.301   81.429   70.899
LGA    L    67_B      L    67_A     0.850     0    0.075   0.103     1.013   88.214   89.345
LGA    Q    68_B      Q    68_A     0.900     0    0.027   0.578     2.741   85.952   84.815
LGA    Y    69_B      Y    69_A     1.693     0    0.050   1.466     8.050   72.976   48.571
LGA    L    70_B      L    70_A     1.708     0    0.065   1.412     3.612   72.857   67.262
LGA    K    71_B      K    71_A     1.636     0    0.071   0.987     4.030   72.857   65.450
LGA    S    72_B      S    72_A     1.344     0    0.717   0.888     4.473   64.286   70.000
LGA    G    73_B      G    73_A     4.313     0    0.054   0.054     5.810   35.000   35.000
LGA    K    74_B      K    74_A     5.079     0    0.143   1.362    11.818   30.238   19.153
LGA    P    75_B      P    75_A     5.757     0    0.325   0.508     7.698   23.810   18.980
LGA    L    76_B      L    76_A     4.853     0    0.151   0.341     7.815   39.405   26.607
LGA    P    77_B      P    77_A     1.629     0    0.061   0.547     3.971   75.476   65.714
LGA    D    78_B      D    78_A     1.497     0    0.086   0.315     2.437   79.286   74.048
LGA    Y    79_B      Y    79_A     1.840     0    0.216   1.161    10.881   71.071   39.127
LGA    L    80_B      L    80_A     0.756     0    0.197   0.246     1.313   88.214   88.214
LGA    I    81_B      I    81_A     2.055     0    0.051   0.892     3.924   75.119   63.512
LGA    K    82_B      K    82_A     2.057     0    0.233   0.771     5.681   66.905   52.328
LGA    V    83_B      V    83_A     1.724     0    0.593   0.566     2.619   71.071   71.905
LGA    T    84_B      T    84_A     3.620     0    0.105   1.098     8.266   51.905   37.143
LGA    G    85_B      G    85_A     3.268     0    0.262   0.262     3.268   57.262   57.262
LGA    N    86_B      N    86_A     6.051     0    0.097   0.861     8.842   17.024   17.500
LGA    L    87_B      L    87_A    12.587     0    0.041   0.343    15.683    0.000    0.000
LGA    E    88_B      E    88_A    14.643     0    0.075   0.950    18.439    0.000    0.000

# 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):     4.654          4.576                  5.475           69.548   63.539

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     71    1.78    77.108    81.298     3.768

LGA_LOCAL      RMSD:   1.784  Number of atoms:   71  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.021  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   4.654  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.932389 * X  +  -0.107058 * Y  +   0.345239 * Z  +  15.462417
  Y_new =  -0.361447 * X  +  -0.269133 * Y  +   0.892706 * Z  + -24.156038
  Z_new =  -0.002656 * X  +  -0.957134 * Y  +  -0.289633 * Z  +   0.662037 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.369821  0.002656 -1.864640   [DEG:  -21.1892    0.1522 -106.8360 ]
ZXZ:  2.772575  1.864639 -3.138818   [DEG:  158.8569  106.8360 -179.8410 ]
 
# END of job
