
#######################################################
#                                                     #
#                        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   92 (  680),  selected   92 , name one
# Molecule2: number of CA atoms   92 (  680),  selected   92 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        4.73     6.67
  LONGEST_CONTINUOUS_SEGMENT:    87       2_A - 88_A        4.80     6.57
  LCS_AVERAGE:     93.27

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      12_A - 83_A        1.98     7.81
  LCS_AVERAGE:     64.20

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      50_A - 79_A        0.97     8.01
  LONGEST_CONTINUOUS_SEGMENT:    30      51_A - 80_A        0.93     8.11
  LCS_AVERAGE:     17.49

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   92
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     G     1_A     G     1_A      4    7   87      3    4    4    6    7    8    8   10   10   10   10   11   12   12   12   13   13   16   19   39 
LCS_GDT     H     2_A     H     2_A      4    7   87      3    4    4    6    7    8    8   10   10   10   10   11   12   12   27   28   30   32   83   83 
LCS_GDT     M     3_A     M     3_A      4    7   87      3    4    4    6    7    8   13   24   33   45   60   71   76   79   80   81   82   83   84   85 
LCS_GDT     S     4_A     S     4_A      4    7   87      3    4    4    6    7    8    9   10   12   18   28   64   65   77   80   81   82   83   84   85 
LCS_GDT     G     5_A     G     5_A      3    7   87      3    3    4    6    7    8    9   11   12   15   29   47   54   66   68   75   79   81   83   85 
LCS_GDT     D     6_A     D     6_A      3    7   87      3    3    4    5    7   16   23   33   42   49   59   71   75   79   80   81   82   83   84   85 
LCS_GDT     N     7_A     N     7_A      4    7   87      3    4    8   14   20   41   56   64   70   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     G     8_A     G     8_A      4    6   87      3    4   10   16   22   25   35   41   54   60   65   70   76   79   80   81   82   83   84   85 
LCS_GDT     G     9_A     G     9_A      4    8   87      3    4    6    8   10   17   28   36   48   55   63   70   73   76   78   80   82   83   84   85 
LCS_GDT     G    10_A     G    10_A      4   24   87      3    4    5    6    9   14   19   24   34   59   65   70   74   76   78   80   82   83   84   85 
LCS_GDT     E    11_A     E    11_A      4   69   87      3    5   10   22   34   45   55   64   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     R    12_A     R    12_A     12   72   87      6   25   38   55   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     R    13_A     R    13_A     12   72   87     13   36   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     K    14_A     K    14_A     12   72   87     11   36   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     G    15_A     G    15_A     12   72   87     17   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     S    16_A     S    16_A     12   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     V    17_A     V    17_A     12   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     K    18_A     K    18_A     12   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     W    19_A     W    19_A     12   72   87     22   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     F    20_A     F    20_A     12   72   87     10   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     D    21_A     D    21_A     12   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     T    22_A     T    22_A     12   72   87      5   11   53   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     Q    23_A     Q    23_A     12   72   87      6   26   46   56   61   64   66   69   71   74   75   75   76   78   80   81   82   83   84   85 
LCS_GDT     K    24_A     K    24_A     11   72   87      5   10   22   44   59   63   65   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     G    25_A     G    25_A     11   72   87      5   13   26   46   60   63   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     F    26_A     F    26_A     11   72   87      6   26   46   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     G    27_A     G    27_A     11   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     F    28_A     F    28_A     11   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     I    29_A     I    29_A     11   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     T    30_A     T    30_A      9   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     P    31_A     P    31_A      9   72   87     23   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     D    32_A     D    32_A      9   72   87     11   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     D    33_A     D    33_A      9   72   87      7   26   51   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     G    34_A     G    34_A      8   72   87      3    6    8   14   25   58   64   68   71   73   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     G    35_A     G    35_A     13   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     D    36_A     D    36_A     13   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     D    37_A     D    37_A     13   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     L    38_A     L    38_A     13   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     F    39_A     F    39_A     13   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     V    40_A     V    40_A     13   72   87     18   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     H    41_A     H    41_A     13   72   87      7   26   48   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     Q    42_A     Q    42_A     13   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     S    43_A     S    43_A     13   72   87     13   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     S    44_A     S    44_A     13   72   87      5   31   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     I    45_A     I    45_A     13   72   87     13   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     R    46_A     R    46_A     13   72   87      8   33   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     S    47_A     S    47_A     13   72   87      5   18   36   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     E    48_A     E    48_A      7   72   87      3   13   21   29   38   51   57   67   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     G    49_A     G    49_A      7   72   87      3    7   14   28   38   57   64   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     F    50_A     F    50_A     30   72   87      7   19   47   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     R    51_A     R    51_A     30   72   87     11   42   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     S    52_A     S    52_A     30   72   87     15   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     L    53_A     L    53_A     30   72   87      9   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     A    54_A     A    54_A     30   72   87     18   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     A    55_A     A    55_A     30   72   87      8   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     E    56_A     E    56_A     30   72   87     10   42   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     E    57_A     E    57_A     30   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     A    58_A     A    58_A     30   72   87      8   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     V    59_A     V    59_A     30   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     E    60_A     E    60_A     30   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     F    61_A     F    61_A     30   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     E    62_A     E    62_A     30   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     V    63_A     V    63_A     30   72   87      4   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     E    64_A     E    64_A     30   72   87      8   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     I    65_A     I    65_A     30   72   87      8   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     D    66_A     D    66_A     30   72   87     12   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     N    67_A     N    67_A     30   72   87     10   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     N    68_A     N    68_A     30   72   87      3   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     N    69_A     N    69_A     30   72   87     12   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     R    70_A     R    70_A     30   72   87     16   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     P    71_A     P    71_A     30   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     K    72_A     K    72_A     30   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     A    73_A     A    73_A     30   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     I    74_A     I    74_A     30   72   87      8   43   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     D    75_A     D    75_A     30   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     V    76_A     V    76_A     30   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     S    77_A     S    77_A     30   72   87     25   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     G    78_A     G    78_A     30   72   87     20   45   54   57   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     P    79_A     P    79_A     30   72   87      3    8   36   55   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     D    80_A     D    80_A     30   72   87      4   13   46   55   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     G    81_A     G    81_A     10   72   87      4    8   20   53   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     A    82_A     A    82_A     10   72   87      4    8   26   55   61   64   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     P    83_A     P    83_A     10   72   87      4    8   13   33   58   63   66   69   71   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     V    84_A     V    84_A      7   36   87      3    6    9   12   22   31   59   67   70   74   75   75   76   79   80   81   82   83   84   85 
LCS_GDT     Q    85_A     Q    85_A      7   15   87      3    5    8   12   14   21   27   33   50   63   70   74   76   79   80   81   82   83   84   85 
LCS_GDT     G    86_A     G    86_A      7   15   87      3    5    9   12   20   24   32   41   56   64   70   74   76   79   80   81   82   83   84   85 
LCS_GDT     N    87_A     N    87_A      4    5   87      3    4    4    4    5    7    9   18   26   33   37   49   60   67   77   80   82   83   84   85 
LCS_GDT     S    88_A     S    88_A      4    5   87      3    4    4    4    5    7    9   10   13   15   30   32   33   42   51   56   60   66   73   79 
LCS_GDT     G    89_A     G    89_A      3    5   85      3    3    3    4    6    7    9   17   20   26   30   32   35   39   41   50   59   64   68   72 
LCS_GDT     G    90_A     G    90_A      3    5   81      3    3    3    4    6    7    8   13   19   26   30   32   35   39   41   43   57   64   68   72 
LCS_GDT     G    91_A     G    91_A      3    5   36      3    3    3    4    6    9   10   15   20   26   30   32   35   39   42   50   59   64   71   77 
LCS_GDT     S    92_A     S    92_A      3    3   36      3    3    3    3    4    7    9   10   13   14   14   16   18   26   27   31   35   35   44   44 
LCS_AVERAGE  LCS_A:  58.32  (  17.49   64.20   93.27 )

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     25     45     54     57     61     64     66     69     71     74     75     75     76     79     80     81     82     83     84     85 
GDT PERCENT_AT  27.17  48.91  58.70  61.96  66.30  69.57  71.74  75.00  77.17  80.43  81.52  81.52  82.61  85.87  86.96  88.04  89.13  90.22  91.30  92.39
GDT RMS_LOCAL    0.33   0.60   0.80   0.93   1.15   1.29   1.41   1.63   1.91   2.28   2.34   2.34   2.56   3.40   3.41   3.62   3.70   3.89   4.10   4.37
GDT RMS_ALL_AT   8.35   8.18   8.07   8.12   7.95   7.97   7.97   7.95   7.78   7.57   7.59   7.59   7.48   6.98   7.01   6.90   6.99   6.89   6.78   6.69

# Checking swapping
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  F    28_A      F    28_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    50_A      F    50_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  D    80_A      D    80_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    15.251     0    0.061   0.061    15.789    0.000    0.000
LGA    H     2_A      H     2_A    12.377     0    0.114   0.404    13.825    0.000    0.048
LGA    M     3_A      M     3_A    12.502     0    0.105   1.041    13.787    0.000    0.000
LGA    S     4_A      S     4_A    14.780     0    0.494   0.747    15.835    0.000    0.000
LGA    G     5_A      G     5_A    18.938     0    0.107   0.107    18.938    0.000    0.000
LGA    D     6_A      D     6_A    13.550     0    0.586   1.148    15.137    0.000    0.000
LGA    N     7_A      N     7_A     8.226     0    0.023   0.543    10.041    2.262    4.286
LGA    G     8_A      G     8_A    12.737     0    0.196   0.196    13.901    0.000    0.000
LGA    G     9_A      G     9_A    12.671     0    0.239   0.239    12.671    0.000    0.000
LGA    G    10_A      G    10_A    10.391     0    0.366   0.366    11.022    0.714    0.714
LGA    E    11_A      E    11_A     6.758     0    0.043   0.674     7.841   20.833   14.868
LGA    R    12_A      R    12_A     2.641     0    0.048   0.314     5.692   48.690   45.281
LGA    R    13_A      R    13_A     1.303     0    0.091   1.448     4.359   83.690   78.355
LGA    K    14_A      K    14_A     1.161     0    0.048   0.602     3.296   81.429   68.254
LGA    G    15_A      G    15_A     0.461     0    0.017   0.017     0.590   97.619   97.619
LGA    S    16_A      S    16_A     0.142     0    0.060   0.579     1.992   97.619   93.889
LGA    V    17_A      V    17_A     0.129     0    0.070   0.134     0.654   97.619   98.639
LGA    K    18_A      K    18_A     0.289     0    0.014   0.913     2.181  100.000   89.048
LGA    W    19_A      W    19_A     0.759     0    0.010   0.903     6.834   95.238   57.755
LGA    F    20_A      F    20_A     1.172     0    0.096   0.177     1.649   83.690   79.913
LGA    D    21_A      D    21_A     0.618     0    0.059   0.314     3.346   88.214   77.738
LGA    T    22_A      T    22_A     2.116     0    0.050   1.132     4.494   63.929   56.190
LGA    Q    23_A      Q    23_A     3.039     0    0.079   0.977     4.454   48.810   49.683
LGA    K    24_A      K    24_A     4.115     0    0.067   0.928     4.682   38.929   38.677
LGA    G    25_A      G    25_A     3.650     0    0.070   0.070     3.650   48.333   48.333
LGA    F    26_A      F    26_A     1.962     0    0.072   0.088     4.209   79.643   59.870
LGA    G    27_A      G    27_A     0.551     0    0.155   0.155     0.551   97.619   97.619
LGA    F    28_A      F    28_A     0.221     0    0.063   0.165     0.589  100.000   99.134
LGA    I    29_A      I    29_A     0.257     0    0.037   0.038     0.401  100.000  100.000
LGA    T    30_A      T    30_A     0.275     0    0.060   0.065     0.401  100.000  100.000
LGA    P    31_A      P    31_A     0.694     0    0.068   0.087     0.950   90.476   90.476
LGA    D    32_A      D    32_A     0.757     0    0.103   0.883     2.411   85.952   80.655
LGA    D    33_A      D    33_A     2.291     0    0.066   0.610     5.100   56.190   47.679
LGA    G    34_A      G    34_A     4.828     0    0.709   0.709     4.828   43.690   43.690
LGA    G    35_A      G    35_A     0.345     0    0.413   0.413     2.022   91.190   91.190
LGA    D    36_A      D    36_A     0.766     0    0.023   0.633     2.155   90.476   85.000
LGA    D    37_A      D    37_A     0.612     0    0.039   0.590     1.886   90.476   88.274
LGA    L    38_A      L    38_A     0.714     0    0.014   1.205     2.471   90.476   84.048
LGA    F    39_A      F    39_A     0.847     0    0.015   0.359     2.043   88.214   82.468
LGA    V    40_A      V    40_A     1.150     0    0.022   0.091     1.592   81.548   82.789
LGA    H    41_A      H    41_A     2.189     0    0.139   0.457     5.946   75.119   49.857
LGA    Q    42_A      Q    42_A     1.014     0    0.023   1.132     4.581   90.714   76.243
LGA    S    43_A      S    43_A     0.637     0    0.071   0.590     2.711   86.190   80.556
LGA    S    44_A      S    44_A     1.151     0    0.020   0.643     2.199   85.952   81.667
LGA    I    45_A      I    45_A     0.560     0    0.164   0.717     2.141   81.786   83.929
LGA    R    46_A      R    46_A     1.336     0    0.377   1.140     9.493   70.000   45.065
LGA    S    47_A      S    47_A     3.319     0    0.093   0.162     4.414   47.262   49.365
LGA    E    48_A      E    48_A     7.041     0    0.076   0.897    13.609   13.690    6.561
LGA    G    49_A      G    49_A     5.993     0    0.228   0.228     6.115   26.786   26.786
LGA    F    50_A      F    50_A     3.008     0    0.061   0.329     4.251   48.571   45.974
LGA    R    51_A      R    51_A     1.131     0    0.012   0.900     5.592   83.810   64.805
LGA    S    52_A      S    52_A     1.040     0    0.009   0.586     3.637   83.690   76.587
LGA    L    53_A      L    53_A     1.085     0    0.245   0.391     2.133   77.262   78.274
LGA    A    54_A      A    54_A     0.431     0    0.023   0.028     0.502  100.000   98.095
LGA    A    55_A      A    55_A     0.943     0    0.626   0.606     3.379   78.095   78.762
LGA    E    56_A      E    56_A     1.374     0    0.018   0.698     3.438   83.690   72.434
LGA    E    57_A      E    57_A     0.577     0    0.049   0.782     2.601   90.476   84.868
LGA    A    58_A      A    58_A     0.790     0    0.068   0.097     1.126   90.476   88.667
LGA    V    59_A      V    59_A     0.271     0    0.026   0.129     0.344  100.000  100.000
LGA    E    60_A      E    60_A     0.397     0    0.039   0.553     1.973   92.976   84.709
LGA    F    61_A      F    61_A     0.930     0    0.087   0.106     1.093   88.214   90.519
LGA    E    62_A      E    62_A     0.980     0    0.081   0.811     2.514   85.952   76.984
LGA    V    63_A      V    63_A     1.198     0    0.058   1.220     2.857   81.429   76.735
LGA    E    64_A      E    64_A     1.375     0    0.097   0.599     1.559   81.429   83.492
LGA    I    65_A      I    65_A     1.175     0    0.057   0.598     1.497   83.690   82.560
LGA    D    66_A      D    66_A     0.967     0    0.071   0.694     3.290   83.690   74.643
LGA    N    67_A      N    67_A     1.355     0    0.030   0.998     2.826   81.429   75.238
LGA    N    68_A      N    68_A     1.252     0    0.055   1.420     4.036   81.429   70.774
LGA    N    69_A      N    69_A     1.002     0    0.081   0.194     1.174   83.690   84.821
LGA    R    70_A      R    70_A     0.652     0    0.061   1.159     6.528   90.476   68.052
LGA    P    71_A      P    71_A     0.806     0    0.016   0.341     1.251   90.476   87.891
LGA    K    72_A      K    72_A     0.682     0    0.047   0.190     1.521   90.476   86.508
LGA    A    73_A      A    73_A     0.791     0    0.039   0.038     1.494   85.952   86.857
LGA    I    74_A      I    74_A     1.468     0    0.047   0.529     2.029   83.690   76.250
LGA    D    75_A      D    75_A     1.092     0    0.081   0.944     4.655   81.429   69.107
LGA    V    76_A      V    76_A     0.970     0    0.013   0.087     1.234   88.214   86.599
LGA    S    77_A      S    77_A     0.881     0    0.028   0.171     0.881   90.476   92.063
LGA    G    78_A      G    78_A     1.016     0    0.102   0.102     1.694   79.286   79.286
LGA    P    79_A      P    79_A     2.694     0    0.684   0.651     5.503   50.357   60.204
LGA    D    80_A      D    80_A     3.219     0    0.077   0.181     4.160   48.571   49.345
LGA    G    81_A      G    81_A     3.276     0    0.045   0.045     3.816   50.119   50.119
LGA    A    82_A      A    82_A     2.699     0    0.108   0.140     2.712   62.976   63.333
LGA    P    83_A      P    83_A     4.308     0    0.027   0.364     6.151   34.524   28.980
LGA    V    84_A      V    84_A     5.617     0    0.129   1.076     7.852   18.929   21.361
LGA    Q    85_A      Q    85_A    10.153     0    0.636   1.199    12.880    1.190    0.529
LGA    G    86_A      G    86_A    10.613     0    0.141   0.141    13.291    0.119    0.119
LGA    N    87_A      N    87_A    15.472     0    0.457   1.140    18.531    0.000    0.000
LGA    S    88_A      S    88_A    20.273     0    0.111   0.676    23.022    0.000    0.000
LGA    G    89_A      G    89_A    23.887     0    0.475   0.475    24.614    0.000    0.000
LGA    G    90_A      G    90_A    25.097     0    0.302   0.302    27.809    0.000    0.000
LGA    G    91_A      G    91_A    26.581     0    0.065   0.065    28.592    0.000    0.000
LGA    S    92_A      S    92_A    29.598     0    0.537   0.860    33.815    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     680    680  100.00                92
SUMMARY(RMSD_GDC):     6.307          6.303                  6.004           61.830   57.910

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     69    1.63    68.478    69.249     3.995

LGA_LOCAL      RMSD:   1.627  Number of atoms:   69  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.953  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   6.307  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.490280 * X  +   0.036561 * Y  +   0.870798 * Z  +  -6.123033
  Y_new =   0.628309 * X  +   0.707258 * Y  +   0.324058 * Z  +   5.240374
  Z_new =  -0.604031 * X  +   0.706009 * Y  +  -0.369726 * Z  +  -6.030666 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.233419  0.648549  2.053212   [DEG:  127.9655   37.1591  117.6404 ]
ZXZ:  1.927056  1.949511 -0.707711   [DEG:  110.4122  111.6987  -40.5489 ]
 
# END of job
