
#######################################################
#                                                     #
#                        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       6_A - 92_A        4.87     6.56
  LCS_AVERAGE:     93.60

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      11_A - 78_A        2.00     7.82
  LCS_AVERAGE:     60.88

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      12_A - 32_A        0.98     7.52
  LCS_AVERAGE:     14.39

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      3    6   12      3    3    4    4    5    7    8   10   11   14   16   18   19   21   24   24   25   25   27   32 
LCS_GDT     H     2_A     H     2_A      3    6   84      3    3    3    4    5    6    8   10   11   14   16   18   20   21   38   41   49   53   61   75 
LCS_GDT     M     3_A     M     3_A      3    6   85      3    3    4    6    6    7    8   10   11   13   16   18   19   21   25   32   34   53   61   66 
LCS_GDT     S     4_A     S     4_A      3    6   86      3    3    4    6    6    7    8   10   11   14   21   22   36   41   46   53   62   78   82   86 
LCS_GDT     G     5_A     G     5_A      3    6   86      3    3    4    6    6    7   10   10   11   16   24   34   38   42   49   58   67   79   83   86 
LCS_GDT     D     6_A     D     6_A      3    6   87      3    3    4    6   12   17   32   41   53   59   64   72   76   79   79   80   83   84   84   86 
LCS_GDT     N     7_A     N     7_A      4   26   87      3   12   16   29   40   53   62   68   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     G     8_A     G     8_A      4   40   87      3    4   12   31   42   53   64   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     G     9_A     G     9_A      7   40   87      4    8   12   18   31   49   60   68   73   75   76   78   78   80   80   81   83   84   84   84 
LCS_GDT     G    10_A     G    10_A      8   40   87      4    8   13   22   43   56   64   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     E    11_A     E    11_A     12   68   87      4   14   34   49   61   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     R    12_A     R    12_A     21   68   87      5   23   43   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     R    13_A     R    13_A     21   68   87     11   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     K    14_A     K    14_A     21   68   87     12   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     G    15_A     G    15_A     21   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     S    16_A     S    16_A     21   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     V    17_A     V    17_A     21   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     K    18_A     K    18_A     21   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     W    19_A     W    19_A     21   68   87     12   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     F    20_A     F    20_A     21   68   87     10   32   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     D    21_A     D    21_A     21   68   87     16   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     T    22_A     T    22_A     21   68   87      6   11   42   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     Q    23_A     Q    23_A     21   68   87      6   19   38   54   61   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     K    24_A     K    24_A     21   68   87      6   13   27   49   60   64   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     G    25_A     G    25_A     21   68   87      6   14   26   46   60   64   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     F    26_A     F    26_A     21   68   87      6   17   37   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     G    27_A     G    27_A     21   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     F    28_A     F    28_A     21   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     I    29_A     I    29_A     21   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     T    30_A     T    30_A     21   68   87     17   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     P    31_A     P    31_A     21   68   87     12   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     D    32_A     D    32_A     21   68   87     12   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     D    33_A     D    33_A     15   68   87      3   13   26   49   60   63   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     G    34_A     G    34_A      9   68   87      3    6    9   12   17   39   56   66   72   75   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     G    35_A     G    35_A     12   68   87     12   26   42   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     D    36_A     D    36_A     12   68   87     12   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     D    37_A     D    37_A     12   68   87     12   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     L    38_A     L    38_A     12   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     F    39_A     F    39_A     12   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     V    40_A     V    40_A     12   68   87     16   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     H    41_A     H    41_A     12   68   87      5   26   41   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     Q    42_A     Q    42_A     12   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     S    43_A     S    43_A     12   68   87      6   28   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     S    44_A     S    44_A     12   68   87      6   12   43   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     I    45_A     I    45_A     12   68   87     12   28   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     R    46_A     R    46_A     12   68   87      8   20   41   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     S    47_A     S    47_A      8   68   87      5   16   28   44   56   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     E    48_A     E    48_A      6   68   87      3    9   17   25   35   46   58   68   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     G    49_A     G    49_A      6   68   87      6   12   22   38   51   64   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     F    50_A     F    50_A     18   68   87      7   17   35   51   60   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     R    51_A     R    51_A     18   68   87      9   19   43   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     S    52_A     S    52_A     18   68   87      9   27   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     L    53_A     L    53_A     18   68   87     12   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     A    54_A     A    54_A     18   68   87     12   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     A    55_A     A    55_A     18   68   87      9   23   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     E    56_A     E    56_A     18   68   87     10   24   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     E    57_A     E    57_A     18   68   87     12   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     A    58_A     A    58_A     18   68   87     13   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     V    59_A     V    59_A     18   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     E    60_A     E    60_A     18   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     F    61_A     F    61_A     18   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     E    62_A     E    62_A     18   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     V    63_A     V    63_A     18   68   87     10   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     E    64_A     E    64_A     18   68   87      9   32   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     I    65_A     I    65_A     18   68   87      9   21   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     D    66_A     D    66_A     18   68   87      5   21   43   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     N    67_A     N    67_A     18   68   87      7   32   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   84 
LCS_GDT     N    68_A     N    68_A     18   68   87      5    7   43   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     N    69_A     N    69_A      7   68   87      5    5    7   47   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     R    70_A     R    70_A      9   68   87      3   27   42   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     P    71_A     P    71_A     10   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     K    72_A     K    72_A     11   68   87      9   32   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     A    73_A     A    73_A     11   68   87      9   24   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     I    74_A     I    74_A     11   68   87      5   21   41   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     D    75_A     D    75_A     11   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     V    76_A     V    76_A     11   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     S    77_A     S    77_A     11   68   87     18   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     G    78_A     G    78_A     11   68   87      9   33   45   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     P    79_A     P    79_A     11   49   87      3   13   42   53   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     D    80_A     D    80_A     11   49   87      5   15   42   53   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     G    81_A     G    81_A     11   49   87      5   15   42   53   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     A    82_A     A    82_A     11   49   87      5   17   42   54   62   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     P    83_A     P    83_A     10   49   87      4    8   21   46   60   65   68   71   73   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     V    84_A     V    84_A      5   36   87      3    6    9   11   20   26   58   68   72   76   76   78   78   80   80   81   83   84   84   86 
LCS_GDT     Q    85_A     Q    85_A      5   15   87      3    5    7   11   14   19   25   34   38   56   72   76   78   80   80   81   83   84   84   86 
LCS_GDT     G    86_A     G    86_A      5   15   87      3    5    8   12   18   23   29   38   57   68   72   77   78   80   80   81   83   84   84   86 
LCS_GDT     N    87_A     N    87_A      3    6   87      0    3    4    6    7    9   10   23   28   33   39   44   53   63   77   80   83   84   84   86 
LCS_GDT     S    88_A     S    88_A      3    6   87      1    3    4    5    7    8    8   12   15   20   25   32   37   51   53   59   72   79   82   83 
LCS_GDT     G    89_A     G    89_A      4    6   87      3    3    4    5    7    9   11   23   28   31   33   37   40   46   56   61   73   79   82   86 
LCS_GDT     G    90_A     G    90_A      4    6   87      3    3    4    5    7    9   19   24   28   31   34   40   40   47   56   64   71   79   82   86 
LCS_GDT     G    91_A     G    91_A      4    6   87      3    3    4    5    8   17   22   27   33   36   40   47   55   66   70   78   82   84   84   86 
LCS_GDT     S    92_A     S    92_A      4    6   87      1    3    4    5    8   10   21   28   36   39   48   59   68   74   77   81   83   84   84   86 
LCS_AVERAGE  LCS_A:  56.29  (  14.39   60.88   93.60 )

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     18     33     45     54     62     65     68     71     73     76     76     78     78     80     80     81     83     84     84     86 
GDT PERCENT_AT  19.57  35.87  48.91  58.70  67.39  70.65  73.91  77.17  79.35  82.61  82.61  84.78  84.78  86.96  86.96  88.04  90.22  91.30  91.30  93.48
GDT RMS_LOCAL    0.35   0.65   0.88   1.12   1.36   1.48   1.64   1.84   2.03   2.32   2.32   2.50   2.50   2.82   2.82   3.17   3.66   3.96   3.96   5.03
GDT RMS_ALL_AT   8.32   8.20   8.07   8.08   8.01   7.87   7.88   7.84   7.76   7.54   7.54   7.61   7.61   7.44   7.44   7.26   7.01   6.86   6.86   6.41

# Checking swapping
#   possible swapping detected:  E    11_A      E    11_A
#   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:  D    36_A      D    36_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  E    64_A      E    64_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    30.618     0    0.626   0.626    31.470    0.000    0.000
LGA    H     2_A      H     2_A    23.859     0    0.167   1.180    26.431    0.000    0.000
LGA    M     3_A      M     3_A    23.618     0    0.626   1.541    28.151    0.000    0.000
LGA    S     4_A      S     4_A    20.205     0    0.401   0.703    21.989    0.000    0.000
LGA    G     5_A      G     5_A    18.830     0    0.570   0.570    19.057    0.000    0.000
LGA    D     6_A      D     6_A    13.093     0    0.199   0.936    14.600    0.000    0.000
LGA    N     7_A      N     7_A     7.315     0    0.576   1.392     9.535   11.190   10.655
LGA    G     8_A      G     8_A     6.464     0    0.351   0.351     6.464   20.476   20.476
LGA    G     9_A      G     9_A     6.686     0    0.539   0.539     6.686   18.571   18.571
LGA    G    10_A      G    10_A     5.104     0    0.074   0.074     5.795   29.048   29.048
LGA    E    11_A      E    11_A     2.935     0    0.062   0.645     3.589   57.500   68.148
LGA    R    12_A      R    12_A     1.711     0    0.046   1.124     3.868   72.976   71.861
LGA    R    13_A      R    13_A     0.932     0    0.599   1.079     4.029   70.476   72.987
LGA    K    14_A      K    14_A     0.555     0    0.121   0.728     1.951   92.857   87.619
LGA    G    15_A      G    15_A     0.195     0    0.027   0.027     0.256  100.000  100.000
LGA    S    16_A      S    16_A     0.176     0    0.048   0.581     2.303  100.000   94.127
LGA    V    17_A      V    17_A     0.247     0    0.067   0.133     0.614   97.619   98.639
LGA    K    18_A      K    18_A     0.297     0    0.034   1.079     2.909  100.000   88.148
LGA    W    19_A      W    19_A     0.921     0    0.071   0.601     2.919   90.476   78.129
LGA    F    20_A      F    20_A     1.188     0    0.116   0.228     1.560   79.286   80.649
LGA    D    21_A      D    21_A     0.608     0    0.038   0.260     2.966   92.857   83.036
LGA    T    22_A      T    22_A     1.765     0    0.152   0.992     4.699   73.333   64.898
LGA    Q    23_A      Q    23_A     2.585     0    0.037   1.294     5.745   54.286   46.032
LGA    K    24_A      K    24_A     3.757     0    0.120   0.840     4.973   43.452   41.429
LGA    G    25_A      G    25_A     3.489     0    0.074   0.074     3.489   50.000   50.000
LGA    F    26_A      F    26_A     2.238     0    0.039   0.086     3.607   73.095   59.134
LGA    G    27_A      G    27_A     0.304     0    0.097   0.097     0.993   97.619   97.619
LGA    F    28_A      F    28_A     0.270     0    0.016   0.070     0.685  100.000   95.671
LGA    I    29_A      I    29_A     0.330     0    0.028   0.061     1.049   97.619   92.917
LGA    T    30_A      T    30_A     0.569     0    0.053   0.067     0.860   92.857   91.837
LGA    P    31_A      P    31_A     1.165     0    0.141   0.364     1.544   79.286   80.272
LGA    D    32_A      D    32_A     1.033     0    0.088   0.795     2.310   77.143   75.060
LGA    D    33_A      D    33_A     4.048     0    0.152   0.991     6.598   33.452   29.226
LGA    G    34_A      G    34_A     6.277     0    0.653   0.653     6.277   26.548   26.548
LGA    G    35_A      G    35_A     1.941     0    0.266   0.266     3.600   63.452   63.452
LGA    D    36_A      D    36_A     1.316     0    0.090   0.257     2.072   81.548   75.179
LGA    D    37_A      D    37_A     0.809     0    0.055   0.601     2.720   90.476   82.917
LGA    L    38_A      L    38_A     0.482     0    0.028   0.794     2.438   92.857   85.119
LGA    F    39_A      F    39_A     0.700     0    0.050   0.467     1.915   90.476   88.182
LGA    V    40_A      V    40_A     1.054     0    0.017   0.121     1.616   79.405   82.857
LGA    H    41_A      H    41_A     2.413     0    0.130   0.323     6.268   72.976   46.000
LGA    Q    42_A      Q    42_A     0.926     0    0.071   0.906     2.223   92.976   86.772
LGA    S    43_A      S    43_A     0.939     0    0.089   0.655     2.992   81.786   77.619
LGA    S    44_A      S    44_A     1.561     0    0.084   0.082     1.996   77.143   75.714
LGA    I    45_A      I    45_A     0.804     0    0.137   0.594     2.294   79.643   82.857
LGA    R    46_A      R    46_A     2.074     0    0.536   1.005     6.875   58.690   54.632
LGA    S    47_A      S    47_A     3.513     0    0.149   0.697     4.475   43.690   45.794
LGA    E    48_A      E    48_A     6.686     0    0.199   0.947    13.401   20.595    9.630
LGA    G    49_A      G    49_A     4.946     0    0.132   0.132     5.547   38.333   38.333
LGA    F    50_A      F    50_A     3.324     0    0.113   0.635     7.252   46.667   30.000
LGA    R    51_A      R    51_A     1.919     0    0.050   1.028     3.574   70.833   67.965
LGA    S    52_A      S    52_A     1.362     0    0.078   0.156     2.372   81.548   77.302
LGA    L    53_A      L    53_A     0.766     0    0.044   0.131     1.015   85.952   88.214
LGA    A    54_A      A    54_A     0.700     0    0.066   0.080     0.879   92.857   92.381
LGA    A    55_A      A    55_A     1.424     0    0.622   0.594     3.534   69.762   70.381
LGA    E    56_A      E    56_A     1.665     0    0.099   1.097     5.719   75.000   58.624
LGA    E    57_A      E    57_A     0.831     0    0.056   0.994     4.039   88.214   71.852
LGA    A    58_A      A    58_A     1.001     0    0.058   0.095     1.302   88.214   86.857
LGA    V    59_A      V    59_A     0.695     0    0.027   0.123     0.871   90.476   90.476
LGA    E    60_A      E    60_A     0.764     0    0.034   0.547     1.273   88.214   88.519
LGA    F    61_A      F    61_A     0.926     0    0.035   0.121     0.926   90.476   90.476
LGA    E    62_A      E    62_A     1.004     0    0.038   0.792     2.666   83.690   75.079
LGA    V    63_A      V    63_A     1.195     0    0.126   0.754     1.713   81.429   78.980
LGA    E    64_A      E    64_A     1.447     0    0.094   0.325     1.666   77.143   79.524
LGA    I    65_A      I    65_A     1.592     0    0.051   1.289     3.578   72.857   62.619
LGA    D    66_A      D    66_A     1.919     0    0.069   1.208     5.246   77.143   63.333
LGA    N    67_A      N    67_A     1.962     0    0.074   0.405     2.520   68.929   67.857
LGA    N    68_A      N    68_A     1.650     0    0.032   1.106     3.949   69.048   61.607
LGA    N    69_A      N    69_A     2.276     0    0.193   0.780     6.788   75.238   52.381
LGA    R    70_A      R    70_A     2.113     0    0.156   1.617     4.008   66.786   60.649
LGA    P    71_A      P    71_A     0.702     0    0.138   0.267     1.048   88.214   90.544
LGA    K    72_A      K    72_A     1.153     0    0.044   0.998     2.216   83.690   79.630
LGA    A    73_A      A    73_A     1.517     0    0.080   0.117     2.728   71.071   71.429
LGA    I    74_A      I    74_A     2.133     0    0.105   0.896     3.597   72.976   63.333
LGA    D    75_A      D    75_A     1.231     0    0.133   0.492     1.710   79.286   81.548
LGA    V    76_A      V    76_A     1.166     0    0.029   0.047     1.453   81.429   81.429
LGA    S    77_A      S    77_A     1.054     0    0.072   0.274     1.057   81.429   86.032
LGA    G    78_A      G    78_A     1.143     0    0.073   0.073     1.725   79.286   79.286
LGA    P    79_A      P    79_A     2.606     0    0.670   0.640     5.327   51.548   59.660
LGA    D    80_A      D    80_A     2.932     0    0.086   0.560     4.136   53.690   51.131
LGA    G    81_A      G    81_A     2.618     0    0.074   0.074     2.832   59.048   59.048
LGA    A    82_A      A    82_A     2.218     0    0.175   0.246     2.218   68.810   68.000
LGA    P    83_A      P    83_A     3.149     0    0.043   0.272     5.001   46.905   41.224
LGA    V    84_A      V    84_A     5.035     0    0.013   1.152     6.185   25.952   27.551
LGA    Q    85_A      Q    85_A     9.092     0    0.099   1.015    13.744    2.262    1.005
LGA    G    86_A      G    86_A     9.669     0    0.687   0.687    12.340    0.476    0.476
LGA    N    87_A      N    87_A    14.693     0    0.541   1.085    16.592    0.000    0.000
LGA    S    88_A      S    88_A    19.912     0    0.119   0.756    23.333    0.000    0.000
LGA    G    89_A      G    89_A    20.442     0    0.299   0.299    20.442    0.000    0.000
LGA    G    90_A      G    90_A    19.578     0    0.482   0.482    21.098    0.000    0.000
LGA    G    91_A      G    91_A    17.940     0    0.704   0.704    18.071    0.000    0.000
LGA    S    92_A      S    92_A    14.931     0    0.042   0.735    16.259    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):     6.276          6.201                  6.031           60.681   57.654

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     71    1.84    64.946    67.285     3.663

LGA_LOCAL      RMSD:   1.838  Number of atoms:   71  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.836  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   6.276  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.837921 * X  +   0.423364 * Y  +  -0.344459 * Z  +  65.392189
  Y_new =   0.330991 * X  +   0.895985 * Y  +   0.296069 * Z  + -37.785069
  Z_new =   0.433974 * X  +   0.134070 * Y  +  -0.890894 * Z  +  -7.980400 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.765392 -0.448899  2.992225   [DEG:  158.4453  -25.7200  171.4418 ]
ZXZ: -2.280791  2.670105  1.271163   [DEG: -130.6797  152.9858   72.8323 ]
 
# END of job
