
#######################################################
#                                                     #
#                        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:    91       1_A - 91_A        4.94     5.21
  LCS_AVERAGE:     98.87

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      10_A - 84_A        1.99     6.27
  LCS_AVERAGE:     70.46

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      50_A - 78_A        0.97     6.30
  LONGEST_CONTINUOUS_SEGMENT:    29      51_A - 79_A        0.94     6.38
  LCS_AVERAGE:     20.64

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      6    6   91      3    4    6    6    6    6   19   26   30   60   72   77   82   85   85   86   86   86   86   87 
LCS_GDT     H     2_A     H     2_A      6    6   91      3    4    6    6    6    6    6   26   30   39   72   73   80   85   85   86   86   86   86   87 
LCS_GDT     M     3_A     M     3_A      6    6   91      3    4    6    6    6   12   19   26   47   60   72   79   82   85   85   86   86   86   86   87 
LCS_GDT     S     4_A     S     4_A      6    6   91      3    4    6    6    6   12   19   32   46   67   75   79   82   85   85   86   86   86   86   87 
LCS_GDT     G     5_A     G     5_A      6    6   91      3    4    6   15   24   26   32   41   58   69   76   79   82   85   85   86   86   86   86   87 
LCS_GDT     D     6_A     D     6_A      6    6   91      3    3    6   12   18   26   32   41   58   68   75   79   82   85   85   86   86   86   86   87 
LCS_GDT     N     7_A     N     7_A      3   72   91      3    3    4    4   34   64   70   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     G     8_A     G     8_A      3   72   91      5   18   27   41   59   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     G     9_A     G     9_A      4   72   91      3    5    6   13   27   45   60   71   73   76   78   78   80   85   85   86   86   86   86   87 
LCS_GDT     G    10_A     G    10_A      4   75   91      3    6   11   24   40   58   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     E    11_A     E    11_A     23   75   91      4   14   27   40   59   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     R    12_A     R    12_A     23   75   91      4   20   48   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     R    13_A     R    13_A     23   75   91     11   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     K    14_A     K    14_A     23   75   91     10   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     G    15_A     G    15_A     23   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     S    16_A     S    16_A     23   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     V    17_A     V    17_A     23   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     K    18_A     K    18_A     23   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     W    19_A     W    19_A     23   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     F    20_A     F    20_A     23   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     D    21_A     D    21_A     23   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     T    22_A     T    22_A     23   75   91      6   18   44   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     Q    23_A     Q    23_A     23   75   91      9   28   44   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     K    24_A     K    24_A     23   75   91      6    9   28   54   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     G    25_A     G    25_A     23   75   91      6   16   28   51   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     F    26_A     F    26_A     23   75   91      8   23   46   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     G    27_A     G    27_A     23   75   91     18   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     F    28_A     F    28_A     23   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     I    29_A     I    29_A     23   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     T    30_A     T    30_A     23   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     P    31_A     P    31_A     23   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     D    32_A     D    32_A     23   75   91     14   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     D    33_A     D    33_A     23   75   91     10   28   48   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     G    34_A     G    34_A      8   75   91      3    5    8   15   28   58   64   72   74   77   78   78   79   81   85   86   86   86   86   87 
LCS_GDT     G    35_A     G    35_A     13   75   91      8   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     D    36_A     D    36_A     13   75   91     10   36   50   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     D    37_A     D    37_A     13   75   91     10   36   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     L    38_A     L    38_A     13   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     F    39_A     F    39_A     13   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     V    40_A     V    40_A     13   75   91     10   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     H    41_A     H    41_A     13   75   91      9   27   48   56   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     Q    42_A     Q    42_A     13   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     S    43_A     S    43_A     13   75   91     12   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     S    44_A     S    44_A     13   75   91      6   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     I    45_A     I    45_A     13   75   91     14   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     R    46_A     R    46_A     13   75   91      6   36   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     S    47_A     S    47_A     13   75   91      4   25   50   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     E    48_A     E    48_A     10   75   91      3    7   22   37   56   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     G    49_A     G    49_A     10   75   91      3    7   26   44   61   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     F    50_A     F    50_A     29   75   91      4   11   34   56   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     R    51_A     R    51_A     29   75   91      9   36   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     S    52_A     S    52_A     29   75   91      9   36   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     L    53_A     L    53_A     29   75   91     12   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     A    54_A     A    54_A     29   75   91     12   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     A    55_A     A    55_A     29   75   91      9   26   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     E    56_A     E    56_A     29   75   91      6   29   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     E    57_A     E    57_A     29   75   91     15   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     A    58_A     A    58_A     29   75   91      9   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     V    59_A     V    59_A     29   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     E    60_A     E    60_A     29   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     F    61_A     F    61_A     29   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     E    62_A     E    62_A     29   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     V    63_A     V    63_A     29   75   91     10   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     E    64_A     E    64_A     29   75   91     16   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     I    65_A     I    65_A     29   75   91     10   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     D    66_A     D    66_A     29   75   91     10   29   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     N    67_A     N    67_A     29   75   91     10   27   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     N    68_A     N    68_A     29   75   91      7   25   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     N    69_A     N    69_A     29   75   91      9   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     R    70_A     R    70_A     29   75   91     10   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     P    71_A     P    71_A     29   75   91     19   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     K    72_A     K    72_A     29   75   91     16   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     A    73_A     A    73_A     29   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     I    74_A     I    74_A     29   75   91      9   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     D    75_A     D    75_A     29   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     V    76_A     V    76_A     29   75   91     21   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     S    77_A     S    77_A     29   75   91     14   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     G    78_A     G    78_A     29   75   91     14   37   51   59   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     P    79_A     P    79_A     29   75   91      3   12   38   53   60   65   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     D    80_A     D    80_A     25   75   91      4   12   38   53   60   65   70   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     G    81_A     G    81_A      9   75   91      4    7   12   46   59   65   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     A    82_A     A    82_A      9   75   91      4    9   46   57   62   68   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     P    83_A     P    83_A      9   75   91      4    7   22   47   61   66   71   75   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     V    84_A     V    84_A      7   75   91      3    6    9   17   25   56   66   72   76   77   78   79   82   85   85   86   86   86   86   87 
LCS_GDT     Q    85_A     Q    85_A      7   36   91      3    7    9   12   19   27   27   39   61   71   75   79   82   85   85   86   86   86   86   87 
LCS_GDT     G    86_A     G    86_A      7   15   91      3    7    9   12   20   27   32   40   57   70   74   79   80   85   85   86   86   86   86   87 
LCS_GDT     N    87_A     N    87_A      5    6   91      3    4    5    6    8   10   19   25   30   35   38   45   50   61   71   77   81   85   85   87 
LCS_GDT     S    88_A     S    88_A      5    6   91      3    4    5    5    8   13   20   26   29   35   38   42   49   55   66   73   79   82   84   87 
LCS_GDT     G    89_A     G    89_A      5    6   91      3    4    5    5    7   12   19   24   29   30   35   39   43   50   52   65   69   73   78   86 
LCS_GDT     G    90_A     G    90_A      5    6   91      3    4    4    6    8   12   17   23   28   30   32   37   41   46   51   58   66   75   79   86 
LCS_GDT     G    91_A     G    91_A      5    6   91      3    4    4    6    8   13   17   23   27   30   32   37   40   43   51   58   65   68   83   86 
LCS_GDT     S    92_A     S    92_A      3    6   87      3    3    3    5    5    6    7    7   12   17   27   29   33   40   42   44   71   75   77   86 
LCS_AVERAGE  LCS_A:  63.32  (  20.64   70.46   98.87 )

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     37     51     59     62     68     71     75     76     77     78     79     82     85     85     86     86     86     86     87 
GDT PERCENT_AT  22.83  40.22  55.43  64.13  67.39  73.91  77.17  81.52  82.61  83.70  84.78  85.87  89.13  92.39  92.39  93.48  93.48  93.48  93.48  94.57
GDT RMS_LOCAL    0.36   0.59   0.84   1.10   1.20   1.62   1.72   1.92   1.99   2.07   2.19   2.63   3.05   3.35   3.30   3.41   3.41   3.41   3.41   3.68
GDT RMS_ALL_AT   7.00   6.88   6.51   6.61   6.52   6.26   6.21   6.20   6.16   6.19   6.19   5.82   5.68   5.61   5.68   5.62   5.62   5.62   5.62   5.53

# Checking swapping
#   possible swapping detected:  D     6_A      D     6_A
#   possible swapping detected:  F    26_A      F    26_A
#   possible swapping detected:  D    32_A      D    32_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    50_A      F    50_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  D    66_A      D    66_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     9.689     0    0.311   0.311    10.380    0.595    0.595
LGA    H     2_A      H     2_A    10.590     0    0.028   1.006    13.499    0.000    0.000
LGA    M     3_A      M     3_A    10.695     0    0.119   1.199    14.791    0.119    0.060
LGA    S     4_A      S     4_A    10.615     0    0.219   0.212    11.043    0.119    0.079
LGA    G     5_A      G     5_A    10.433     0    0.482   0.482    11.373    0.000    0.000
LGA    D     6_A      D     6_A     9.632     0    0.401   1.185    11.354    8.810    4.405
LGA    N     7_A      N     7_A     4.083     0    0.335   1.301     9.919   50.000   29.524
LGA    G     8_A      G     8_A     3.866     0    0.138   0.138     6.729   33.214   33.214
LGA    G     9_A      G     9_A     6.839     0    0.560   0.560     6.839   18.452   18.452
LGA    G    10_A      G    10_A     4.773     0    0.244   0.244     5.341   32.976   32.976
LGA    E    11_A      E    11_A     3.308     0    0.210   0.579     4.544   55.714   52.063
LGA    R    12_A      R    12_A     1.454     0    0.079   1.278     6.616   71.071   53.636
LGA    R    13_A      R    13_A     0.662     0    0.102   1.522     4.520   88.214   73.896
LGA    K    14_A      K    14_A     0.743     0    0.099   0.774     2.244   90.476   84.762
LGA    G    15_A      G    15_A     0.230     0    0.083   0.083     0.611   97.619   97.619
LGA    S    16_A      S    16_A     0.234     0    0.021   0.691     2.201  100.000   94.127
LGA    V    17_A      V    17_A     0.225     0    0.091   0.174     0.991   97.619   97.279
LGA    K    18_A      K    18_A     0.652     0    0.021   0.738     2.935   92.857   83.862
LGA    W    19_A      W    19_A     0.518     0    0.033   0.677     2.621   95.238   84.490
LGA    F    20_A      F    20_A     0.490     0    0.078   0.121     1.104  100.000   93.160
LGA    D    21_A      D    21_A     0.456     0    0.046   0.164     1.828   90.714   86.131
LGA    T    22_A      T    22_A     2.125     0    0.051   1.198     4.237   65.238   58.027
LGA    Q    23_A      Q    23_A     2.604     0    0.050   0.994     3.676   53.810   59.206
LGA    K    24_A      K    24_A     3.438     0    0.065   0.136     5.818   46.905   41.958
LGA    G    25_A      G    25_A     3.391     0    0.082   0.082     3.391   51.786   51.786
LGA    F    26_A      F    26_A     1.877     0    0.011   0.135     2.405   75.119   70.000
LGA    G    27_A      G    27_A     0.349     0    0.068   0.068     0.792   97.619   97.619
LGA    F    28_A      F    28_A     0.549     0    0.037   0.124     1.688   97.619   85.801
LGA    I    29_A      I    29_A     0.405     0    0.016   0.099     0.700  100.000   97.619
LGA    T    30_A      T    30_A     0.522     0    0.051   0.133     0.946   92.857   91.837
LGA    P    31_A      P    31_A     0.832     0    0.063   0.081     1.258   88.214   89.184
LGA    D    32_A      D    32_A     0.976     0    0.048   0.174     1.753   81.667   84.940
LGA    D    33_A      D    33_A     2.781     0    0.111   0.988     5.332   49.167   40.476
LGA    G    34_A      G    34_A     5.477     0    0.622   0.622     5.477   37.500   37.500
LGA    G    35_A      G    35_A     1.478     0    0.408   0.408     2.974   71.071   71.071
LGA    D    36_A      D    36_A     2.114     0    0.044   0.194     3.025   68.810   63.988
LGA    D    37_A      D    37_A     1.683     0    0.086   0.424     3.127   77.143   73.214
LGA    L    38_A      L    38_A     1.094     0    0.045   1.282     2.885   85.952   77.500
LGA    F    39_A      F    39_A     0.952     0    0.048   0.396     2.388   85.952   78.528
LGA    V    40_A      V    40_A     1.044     0    0.016   0.100     1.691   79.405   82.857
LGA    H    41_A      H    41_A     2.285     0    0.138   0.273     5.906   72.976   48.476
LGA    Q    42_A      Q    42_A     1.262     0    0.095   0.821     4.043   83.810   73.862
LGA    S    43_A      S    43_A     0.641     0    0.127   0.111     1.144   90.476   88.968
LGA    S    44_A      S    44_A     0.799     0    0.118   0.121     1.230   88.214   87.460
LGA    I    45_A      I    45_A     0.484     0    0.121   0.689     1.642   92.976   89.524
LGA    R    46_A      R    46_A     0.962     0    0.404   1.112    10.155   81.786   44.892
LGA    S    47_A      S    47_A     1.462     0    0.042   0.635     2.290   75.357   74.524
LGA    E    48_A      E    48_A     3.943     0    0.123   0.969     8.845   45.000   27.249
LGA    G    49_A      G    49_A     3.765     0    0.289   0.289     3.765   45.000   45.000
LGA    F    50_A      F    50_A     2.747     0    0.078   1.257     3.605   60.952   58.139
LGA    R    51_A      R    51_A     1.490     0    0.315   0.730     1.882   77.143   82.424
LGA    S    52_A      S    52_A     1.195     0    0.012   0.048     1.415   85.952   84.444
LGA    L    53_A      L    53_A     0.669     0    0.065   0.248     1.106   88.214   88.214
LGA    A    54_A      A    54_A     0.722     0    0.053   0.097     0.749   92.857   92.381
LGA    A    55_A      A    55_A     1.620     0    0.624   0.607     3.839   67.619   68.667
LGA    E    56_A      E    56_A     1.766     0    0.017   0.184     2.853   75.000   66.772
LGA    E    57_A      E    57_A     0.869     0    0.092   0.933     4.531   85.952   73.704
LGA    A    58_A      A    58_A     1.029     0    0.109   0.138     1.267   85.952   85.048
LGA    V    59_A      V    59_A     0.682     0    0.029   0.142     0.941   90.476   91.837
LGA    E    60_A      E    60_A     0.971     0    0.051   0.697     1.403   85.952   86.455
LGA    F    61_A      F    61_A     1.393     0    0.082   0.154     1.667   79.286   83.117
LGA    E    62_A      E    62_A     1.352     0    0.046   0.824     3.163   79.286   70.582
LGA    V    63_A      V    63_A     1.503     0    0.054   1.221     3.306   79.286   73.265
LGA    E    64_A      E    64_A     1.347     0    0.023   0.261     1.821   81.429   80.476
LGA    I    65_A      I    65_A     1.387     0    0.027   0.599     1.756   81.429   79.286
LGA    D    66_A      D    66_A     1.257     0    0.031   0.180     1.745   81.429   80.357
LGA    N    67_A      N    67_A     1.289     0    0.089   1.089     4.177   81.429   69.881
LGA    N    68_A      N    68_A     1.555     0    0.095   1.349     5.002   79.286   67.262
LGA    N    69_A      N    69_A     1.289     0    0.081   0.875     2.978   81.429   75.238
LGA    R    70_A      R    70_A     1.019     0    0.036   0.575     3.430   81.429   72.597
LGA    P    71_A      P    71_A     1.100     0    0.025   0.068     1.486   81.429   81.429
LGA    K    72_A      K    72_A     0.987     0    0.034   0.198     1.565   83.690   81.481
LGA    A    73_A      A    73_A     0.969     0    0.047   0.053     1.404   85.952   86.857
LGA    I    74_A      I    74_A     1.886     0    0.019   0.602     2.364   72.857   69.821
LGA    D    75_A      D    75_A     1.773     0    0.050   0.148     2.059   72.857   71.845
LGA    V    76_A      V    76_A     1.443     0    0.027   0.033     1.730   75.000   77.755
LGA    S    77_A      S    77_A     1.579     0    0.067   0.077     1.859   77.143   75.714
LGA    G    78_A      G    78_A     1.614     0    0.014   0.014     2.334   70.833   70.833
LGA    P    79_A      P    79_A     2.948     0    0.669   0.638     5.309   47.857   55.170
LGA    D    80_A      D    80_A     3.460     0    0.105   0.252     4.214   45.119   47.738
LGA    G    81_A      G    81_A     3.513     0    0.038   0.038     3.560   46.667   46.667
LGA    A    82_A      A    82_A     2.284     0    0.091   0.133     2.316   66.786   68.000
LGA    P    83_A      P    83_A     3.401     0    0.013   0.034     5.709   45.119   37.075
LGA    V    84_A      V    84_A     4.981     0    0.088   0.099     6.355   27.262   29.864
LGA    Q    85_A      Q    85_A     8.827     0    0.057   0.701    12.006    3.571    1.799
LGA    G    86_A      G    86_A     9.605     0    0.678   0.678    11.959    0.476    0.476
LGA    N    87_A      N    87_A    14.663     0    0.432   1.223    17.582    0.000    0.000
LGA    S    88_A      S    88_A    16.580     0    0.557   0.490    18.002    0.000    0.000
LGA    G    89_A      G    89_A    19.981     0    0.514   0.514    20.027    0.000    0.000
LGA    G    90_A      G    90_A    20.839     0    0.543   0.543    21.742    0.000    0.000
LGA    G    91_A      G    91_A    22.380     0    0.609   0.609    23.567    0.000    0.000
LGA    S    92_A      S    92_A    22.929     0    0.242   0.292    23.490    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):     5.196          5.208                  5.097           63.148   59.631

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     75    1.92    69.837    72.397     3.705

LGA_LOCAL      RMSD:   1.924  Number of atoms:   75  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.198  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   5.196  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.404234 * X  +  -0.029495 * Y  +   0.914180 * Z  +   0.988552
  Y_new =  -0.802277 * X  +  -0.468560 * Y  +  -0.369871 * Z  +  -2.178898
  Z_new =   0.439257 * X  +  -0.882939 * Y  +   0.165745 * Z  +   3.080493 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.037527 -0.454772 -1.385237   [DEG: -116.7417  -26.0565  -79.3682 ]
ZXZ:  1.186337  1.404283  2.679952   [DEG:   67.9721   80.4595  153.5499 ]
 
# END of job
