
#######################################################
#                                                     #
#                        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  101 (  798),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  706),  selected   87 , 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:    78      15_A - 92_A        4.67    14.14
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.63    14.63
  LCS_AVERAGE:     74.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37      15_A - 51_A        0.97    14.52
  LCS_AVERAGE:     34.42

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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     K    15_A     K    15_A     37   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    16_A     L    16_A     37   74   78     15   47   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    17_A     I    17_A     37   74   78     19   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    18_A     I    18_A     37   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    19_A     K    19_A     37   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    20_A     A    20_A     37   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     37   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    22_A     L    22_A     37   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    23_A     G    23_A     37   74   78      3   16   41   64   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    24_A     E    24_A     37   74   78     14   52   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    25_A     D    25_A     37   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    26_A     I    26_A     37   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    27_A     R    27_A     37   74   78     30   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    28_A     R    28_A     37   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    29_A     I    29_A     37   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     P    30_A     P    30_A     37   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    31_A     I    31_A     37   74   78     24   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     H    32_A     H    32_A     37   74   78     21   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    33_A     N    33_A     37   74   78     20   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    34_A     E    34_A     37   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    35_A     D    35_A     37   74   78     30   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    36_A     I    36_A     37   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    37_A     T    37_A     37   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     37   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    39_A     D    39_A     37   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    40_A     E    40_A     37   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    41_A     L    41_A     37   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    42_A     V    42_A     37   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    43_A     L    43_A     37   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    44_A     M    44_A     37   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    45_A     M    45_A     37   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     37   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    47_A     R    47_A     37   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    48_A     V    48_A     37   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    49_A     F    49_A     37   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    50_A     R    50_A     37   74   78     26   54   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    51_A     G    51_A     37   74   78      3    4   28   55   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    52_A     K    52_A     15   74   78      4   34   60   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    53_A     L    53_A     15   74   78      5    8   46   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    54_A     L    54_A     15   74   78      5    8   28   65   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    55_A     S    55_A     15   74   78      5   16   44   65   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    56_A     N    56_A     31   74   78      7   29   60   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    57_A     D    57_A     31   74   78      6   34   60   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    58_A     E    58_A     31   74   78      8   42   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    59_A     V    59_A     31   74   78     13   43   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    60_A     T    60_A     31   74   78     24   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    61_A     I    61_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    62_A     K    62_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    64_A     K    64_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    65_A     A    65_A     31   74   78     24   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    66_A     E    66_A     31   74   78      3   25   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    67_A     R    67_A     31   74   78      5   11   42   64   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    68_A     G    68_A     31   74   78      7   33   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    69_A     D    69_A     31   74   78      7   44   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    70_A     L    70_A     31   74   78     24   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    71_A     I    71_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    72_A     T    72_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    73_A     I    73_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    74_A     F    74_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    75_A     D    75_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    76_A     S    76_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    77_A     S    77_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    78_A     D    78_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    79_A     L    79_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    80_A     S    80_A     31   74   78     26   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    81_A     F    81_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    82_A     A    82_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    83_A     I    83_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     C    85_A     C    85_A     31   74   78     31   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    86_A     S    86_A     31   74   78     16   55   62   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    87_A     R    87_A     30   74   78      5   11   22   38   56   71   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    88_A     I    88_A     14   74   78      9   12   14   14   14   15   25   32   40   53   72   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     14   15   78      9   12   14   14   14   14   15   16   16   17   18   20   28   33   43   55   68   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   15   78      9   12   14   14   14   14   15   16   16   17   18   20   28   31   34   41   53   65   72   76 
LCS_GDT     L    91_A     L    91_A     14   15   78      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   26   28   31 
LCS_GDT     T    92_A     T    92_A     14   15   78      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   26   28   30 
LCS_GDT     L    93_A     L    93_A     14   15   19      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   26   28   30 
LCS_GDT     F    94_A     F    94_A     14   15   19      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   26   28   30 
LCS_GDT     V    95_A     V    95_A     14   15   19      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   26   27   28 
LCS_GDT     N    96_A     N    96_A     14   15   19      9   12   14   14   14   14   15   16   16   16   18   20   20   22   22   22   25   26   27   28 
LCS_GDT     G    97_A     G    97_A     14   15   19      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   26   27   28 
LCS_GDT     Q    98_A     Q    98_A     14   15   19      9   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   26   28   30 
LCS_GDT     P    99_A     P    99_A     14   15   19      3   12   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   26   28   30 
LCS_GDT     R   100_A     R   100_A     14   15   19      3   11   14   14   14   14   15   16   16   17   18   20   20   22   22   24   25   26   28   30 
LCS_GDT     P   101_A     P   101_A      3   15   19      3    3    3    7   10   12   14   16   16   17   18   20   20   22   22   24   25   26   28   30 
LCS_AVERAGE  LCS_A:  63.99  (  34.42   74.92   82.64 )

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     31     55     62     67     71     72     73     73     73     73     73     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  35.63  63.22  71.26  77.01  81.61  82.76  83.91  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36
GDT RMS_LOCAL    0.35   0.58   0.72   0.96   1.15   1.22   1.30   1.30   1.30   1.30   1.30   1.63   1.63   1.63   1.63   1.63   1.63   2.18   2.18   2.75
GDT RMS_ALL_AT  14.80  14.80  14.82  14.72  14.68  14.66  14.66  14.66  14.66  14.66  14.66  14.63  14.63  14.63  14.63  14.63  14.63  14.56  14.56  14.47

# Checking swapping
#   possible swapping detected:  F    49_A      F    49_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  F    74_A      F    74_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     1.233     0    0.473   0.885     5.438   73.571   58.307
LGA    L    16_A      L    16_A     1.271     0    0.043   0.076     1.497   81.429   81.429
LGA    I    17_A      I    17_A     0.952     0    0.034   0.678     2.368   88.214   83.869
LGA    I    18_A      I    18_A     0.354     0    0.034   0.621     1.901  100.000   95.417
LGA    K    19_A      K    19_A     0.241     0    0.039   0.698     3.704   97.619   81.058
LGA    A    20_A      A    20_A     0.362     0    0.014   0.016     0.623  100.000   98.095
LGA    Q    21_A      Q    21_A     0.307     0    0.029   0.298     0.965   97.619   97.884
LGA    L    22_A      L    22_A     0.565     0    0.473   0.540     2.017   86.429   86.190
LGA    G    23_A      G    23_A     2.476     0    0.567   0.567     4.196   57.857   57.857
LGA    E    24_A      E    24_A     0.694     0    0.101   0.742     6.273   95.238   66.032
LGA    D    25_A      D    25_A     0.629     0    0.046   0.156     0.920   90.476   90.476
LGA    I    26_A      I    26_A     0.817     0    0.026   0.072     1.203   85.952   88.214
LGA    R    27_A      R    27_A     1.079     0    0.065   0.179     2.572   90.595   76.450
LGA    R    28_A      R    28_A     0.640     0    0.053   0.954     2.485   92.857   80.303
LGA    I    29_A      I    29_A     0.283     0    0.035   0.148     0.759  100.000   97.619
LGA    P    30_A      P    30_A     0.306     0    0.092   0.099     0.637   97.619   98.639
LGA    I    31_A      I    31_A     0.705     0    0.625   0.851     3.421   80.476   83.214
LGA    H    32_A      H    32_A     1.039     0    0.085   0.224     1.289   85.952   85.952
LGA    N    33_A      N    33_A     1.105     0    0.048   0.787     3.154   85.952   75.655
LGA    E    34_A      E    34_A     1.156     0    0.069   0.448     3.856   81.429   71.693
LGA    D    35_A      D    35_A     1.015     0    0.258   1.208     4.342   81.548   72.798
LGA    I    36_A      I    36_A     1.133     0    0.038   0.109     1.526   79.286   83.750
LGA    T    37_A      T    37_A     1.358     0    0.021   0.103     1.479   81.429   81.429
LGA    Y    38_A      Y    38_A     1.477     0    0.021   0.213     2.028   81.429   76.468
LGA    D    39_A      D    39_A     1.408     0    0.030   0.118     1.753   81.429   80.357
LGA    E    40_A      E    40_A     1.074     0    0.027   0.200     1.228   85.952   84.444
LGA    L    41_A      L    41_A     0.870     0    0.045   0.145     0.982   90.476   91.667
LGA    V    42_A      V    42_A     1.273     0    0.027   0.065     1.668   81.429   78.980
LGA    L    43_A      L    43_A     1.059     0    0.018   0.078     1.083   83.690   87.083
LGA    M    44_A      M    44_A     0.818     0    0.086   1.011     4.723   90.476   73.869
LGA    M    45_A      M    45_A     1.056     0    0.049   0.931     2.824   83.690   78.452
LGA    Q    46_A      Q    46_A     1.146     0    0.023   0.223     1.557   81.429   81.481
LGA    R    47_A      R    47_A     1.021     0    0.017   1.195     4.714   81.429   73.939
LGA    V    48_A      V    48_A     0.740     0    0.084   1.229     3.063   88.214   79.728
LGA    F    49_A      F    49_A     1.292     0    0.082   0.069     2.113   75.119   83.290
LGA    R    50_A      R    50_A     1.713     0    0.518   0.935     8.475   77.381   45.974
LGA    G    51_A      G    51_A     3.512     0    0.034   0.034     4.440   48.810   48.810
LGA    K    52_A      K    52_A     1.653     0    0.128   0.853     1.844   72.857   76.720
LGA    L    53_A      L    53_A     2.408     0    0.089   1.017     3.551   57.500   58.452
LGA    L    54_A      L    54_A     2.921     0    0.070   0.151     3.654   57.143   54.524
LGA    S    55_A      S    55_A     2.930     0    0.078   0.081     3.202   57.143   54.762
LGA    N    56_A      N    56_A     1.924     0    0.033   1.168     6.455   72.976   57.798
LGA    D    57_A      D    57_A     1.690     0    0.029   0.142     2.156   72.857   71.845
LGA    E    58_A      E    58_A     1.253     0    0.034   0.600     2.067   85.952   78.730
LGA    V    59_A      V    59_A     0.992     0    0.017   0.048     1.279   88.214   87.891
LGA    T    60_A      T    60_A     0.443     0    0.065   0.150     0.690   95.238   94.558
LGA    I    61_A      I    61_A     0.540     0    0.023   0.060     1.093   92.857   89.405
LGA    K    62_A      K    62_A     0.483     0    0.032   0.091     0.684   95.238   94.709
LGA    Y    63_A      Y    63_A     0.437     0    0.020   0.147     0.487  100.000  100.000
LGA    K    64_A      K    64_A     0.317     0    0.058   0.660     4.616  100.000   77.725
LGA    A    65_A      A    65_A     0.612     0    0.067   0.107     0.906   90.476   90.476
LGA    E    66_A      E    66_A     1.585     0    0.660   0.993     4.641   67.619   59.947
LGA    R    67_A      R    67_A     2.538     0    0.252   1.371    13.776   66.905   31.948
LGA    G    68_A      G    68_A     1.773     0    0.125   0.125     1.837   72.857   72.857
LGA    D    69_A      D    69_A     1.522     0    0.018   1.033     2.484   81.667   75.238
LGA    L    70_A      L    70_A     0.709     0    0.051   1.349     3.150   92.976   81.190
LGA    I    71_A      I    71_A     0.122     0    0.041   0.048     0.603  100.000   97.619
LGA    T    72_A      T    72_A     0.371     0    0.024   0.055     0.663   97.619   97.279
LGA    I    73_A      I    73_A     0.535     0    0.029   0.086     0.872   92.857   91.667
LGA    F    74_A      F    74_A     0.621     0    0.045   0.098     0.623   92.857   93.939
LGA    D    75_A      D    75_A     0.498     0    0.042   0.938     4.260   97.619   79.345
LGA    S    76_A      S    76_A     0.195     0    0.028   0.051     0.396  100.000  100.000
LGA    S    77_A      S    77_A     0.699     0    0.013   0.554     1.172   92.857   90.556
LGA    D    78_A      D    78_A     0.612     0    0.028   0.068     0.755   95.238   92.857
LGA    L    79_A      L    79_A     0.283     0    0.025   1.368     2.894  100.000   85.893
LGA    S    80_A      S    80_A     0.420     0    0.034   0.698     2.170  100.000   92.540
LGA    F    81_A      F    81_A     0.690     0    0.046   0.094     2.164   95.238   81.082
LGA    A    82_A      A    82_A     0.539     0    0.033   0.035     0.704   97.619   96.190
LGA    I    83_A      I    83_A     0.316     0    0.011   0.096     0.784  100.000   96.429
LGA    Q    84_A      Q    84_A     0.278     0    0.025   0.999     5.323  100.000   75.767
LGA    C    85_A      C    85_A     0.336     0    0.183   0.190     1.241   92.976   90.635
LGA    S    86_A      S    86_A     0.594     0    0.584   0.730     3.997   74.643   68.889
LGA    R    87_A      R    87_A     4.043     0    0.535   0.852     9.164   29.524   20.563
LGA    I    88_A      I    88_A     8.595     0    0.026   0.576    11.381    8.214    4.524
LGA    L    89_A      L    89_A    12.804     0    0.056   0.116    18.755    0.000    0.000
LGA    K    90_A      K    90_A    15.221     0    0.036   0.872    17.496    0.000    0.000
LGA    L    91_A      L    91_A    22.325     0    0.049   0.104    25.224    0.000    0.000
LGA    T    92_A      T    92_A    26.747     0    0.017   1.092    30.136    0.000    0.000
LGA    L    93_A      L    93_A    34.189     0    0.073   1.147    35.888    0.000    0.000
LGA    F    94_A      F    94_A    39.601     0    0.045   0.098    42.873    0.000    0.000
LGA    V    95_A      V    95_A    46.851     0    0.028   0.050    50.496    0.000    0.000
LGA    N    96_A      N    96_A    52.230     0    0.081   0.131    56.879    0.000    0.000
LGA    G    97_A      G    97_A    46.920     0    0.027   0.027    48.477    0.000    0.000
LGA    Q    98_A      Q    98_A    44.070     0    0.092   1.056    48.273    0.000    0.000
LGA    P    99_A      P    99_A    37.891     0    0.713   0.636    39.770    0.000    0.000
LGA    R   100_A      R   100_A    41.262     0    0.050   1.212    43.192    0.000    0.000
LGA    P   101_A      P   101_A    44.046     0    0.084   0.100    47.372    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     706    706  100.00                87
SUMMARY(RMSD_GDC):    12.627         12.689                 12.665           71.612   66.913

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    1.30    77.299    78.577     5.203

LGA_LOCAL      RMSD:   1.303  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.657  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.627  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.251593 * X  +  -0.415071 * Y  +   0.874310 * Z  +   1.606181
  Y_new =  -0.884356 * X  +  -0.465613 * Y  +   0.033438 * Z  +  50.887703
  Z_new =   0.393211 * X  +  -0.781614 * Y  +  -0.484215 * Z  +  -2.580849 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.293627 -0.404122 -2.125436   [DEG:  -74.1194  -23.1545 -121.7785 ]
ZXZ:  1.609022  2.076262  2.675487   [DEG:   92.1902  118.9611  153.2941 ]
 
# END of job
