
#######################################################
#                                                     #
#                        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        4.58    14.16
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.42    14.64
  LCS_AVERAGE:     75.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      15_A - 86_A        0.96    14.68
  LCS_AVERAGE:     71.65

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     72   74   78      7   55   63   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    16_A     L    16_A     72   74   78     46   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    17_A     I    17_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    18_A     I    18_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    19_A     K    19_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    20_A     A    20_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    22_A     L    22_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    23_A     G    23_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    24_A     E    24_A     72   74   78     46   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    25_A     D    25_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    26_A     I    26_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    27_A     R    27_A     72   74   78     29   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    28_A     R    28_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    29_A     I    29_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     P    30_A     P    30_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    31_A     I    31_A     72   74   78     46   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     H    32_A     H    32_A     72   74   78      3   52   63   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    33_A     N    33_A     72   74   78      3    4    5    6   28   66   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    34_A     E    34_A     72   74   78      3    4   30   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    35_A     D    35_A     72   74   78      3    4    5   44   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    36_A     I    36_A     72   74   78     36   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    37_A     T    37_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    39_A     D    39_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    40_A     E    40_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    41_A     L    41_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    42_A     V    42_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    43_A     L    43_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    44_A     M    44_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    45_A     M    45_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    47_A     R    47_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    48_A     V    48_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    49_A     F    49_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    50_A     R    50_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    51_A     G    51_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    52_A     K    52_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    53_A     L    53_A     72   74   78      7   20   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    54_A     L    54_A     72   74   78      7   28   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    55_A     S    55_A     72   74   78      9   28   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    56_A     N    56_A     72   74   78      9   57   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    57_A     D    57_A     72   74   78     34   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    58_A     E    58_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    59_A     V    59_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    60_A     T    60_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    61_A     I    61_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    62_A     K    62_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    64_A     K    64_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    65_A     A    65_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    66_A     E    66_A     72   74   78     22   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    67_A     R    67_A     72   74   78      5   25   63   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    68_A     G    68_A     72   74   78      6   47   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    69_A     D    69_A     72   74   78      6   47   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    70_A     L    70_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    71_A     I    71_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    72_A     T    72_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    73_A     I    73_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    74_A     F    74_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    75_A     D    75_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    76_A     S    76_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    77_A     S    77_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    78_A     D    78_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    79_A     L    79_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    80_A     S    80_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    81_A     F    81_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    82_A     A    82_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    83_A     I    83_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     C    85_A     C    85_A     72   74   78     47   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    86_A     S    86_A     72   74   78     16   60   65   70   70   72   72   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    87_A     R    87_A     54   74   78      5   13   27   52   70   72   72   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   16   25   32   44   58   72   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     14   16   78      9   12   14   14   14   14   15   16   16   17   19   20   25   34   41   56   68   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   16   78      9   12   14   14   14   14   15   16   16   17   19   20   25   30   37   43   53   61   73   76 
LCS_GDT     L    91_A     L    91_A     14   16   78      9   12   14   14   14   14   15   16   16   17   19   20   21   22   23   24   26   28   29   31 
LCS_GDT     T    92_A     T    92_A     14   16   78      9   12   14   14   14   14   15   16   16   17   19   20   21   22   23   24   26   28   29   29 
LCS_GDT     L    93_A     L    93_A     14   16   19      9   12   14   14   14   14   15   16   16   17   19   20   21   22   23   24   26   28   29   29 
LCS_GDT     F    94_A     F    94_A     14   16   19      9   12   14   14   14   14   15   16   16   17   19   20   21   22   23   24   26   28   29   29 
LCS_GDT     V    95_A     V    95_A     14   16   19      9   12   14   14   14   14   15   16   16   17   19   20   21   22   23   24   25   26   27   28 
LCS_GDT     N    96_A     N    96_A     14   16   19      9   12   14   14   14   14   15   16   16   16   18   20   21   22   23   24   25   26   27   28 
LCS_GDT     G    97_A     G    97_A     14   16   19      4   12   14   14   14   14   15   16   16   17   19   20   21   22   23   24   25   26   27   28 
LCS_GDT     Q    98_A     Q    98_A     14   16   19      4   12   14   14   14   14   15   16   16   17   19   20   21   22   23   24   26   28   29   29 
LCS_GDT     P    99_A     P    99_A     14   16   19      3   12   14   14   14   14   15   16   16   17   19   20   21   22   23   24   26   28   29   29 
LCS_GDT     R   100_A     R   100_A     14   16   19      3    6   14   14   14   14   15   16   16   17   19   20   21   22   23   24   25   28   29   29 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    6    8   11   13   15   16   16   17   19   20   21   22   23   24   26   28   29   29 
LCS_AVERAGE  LCS_A:  76.46  (  71.65   75.10   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     47     60     65     70     70     72     72     73     73     73     73     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  54.02  68.97  74.71  80.46  80.46  82.76  82.76  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    0.26   0.40   0.58   0.74   0.74   0.92   0.92   1.04   1.04   1.04   1.04   1.42   1.42   1.42   1.42   1.42   1.42   2.03   2.03   2.62
GDT RMS_ALL_AT  14.69  14.69  14.67  14.69  14.69  14.68  14.68  14.67  14.67  14.67  14.67  14.64  14.64  14.64  14.64  14.64  14.64  14.58  14.58  14.49

# Checking swapping
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  D    69_A      D    69_A
#   possible swapping detected:  F    94_A      F    94_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     1.668     0    0.445   1.051     8.502   77.143   46.878
LGA    L    16_A      L    16_A     0.678     0    0.030   0.094     1.029   88.214   90.536
LGA    I    17_A      I    17_A     0.242     0    0.011   0.066     0.794  100.000   96.429
LGA    I    18_A      I    18_A     0.275     0    0.013   0.062     0.520   97.619   98.810
LGA    K    19_A      K    19_A     0.426     0    0.021   0.218     2.124  100.000   90.899
LGA    A    20_A      A    20_A     0.253     0    0.025   0.023     0.398  100.000  100.000
LGA    Q    21_A      Q    21_A     0.172     0    0.014   0.097     0.347  100.000  100.000
LGA    L    22_A      L    22_A     0.372     0    0.018   0.071     0.625  100.000   97.619
LGA    G    23_A      G    23_A     0.574     0    0.013   0.013     0.580   92.857   92.857
LGA    E    24_A      E    24_A     0.690     0    0.041   0.860     4.018   90.476   78.836
LGA    D    25_A      D    25_A     0.359     0    0.022   0.827     3.972  100.000   81.310
LGA    I    26_A      I    26_A     0.396     0    0.011   0.066     0.633   95.238   96.429
LGA    R    27_A      R    27_A     0.771     0    0.025   1.086     3.853   90.476   82.164
LGA    R    28_A      R    28_A     0.597     0    0.050   1.373     6.295   95.238   73.810
LGA    I    29_A      I    29_A     0.196     0    0.037   0.469     1.074  100.000   96.488
LGA    P    30_A      P    30_A     0.217     0    0.036   0.045     0.392  100.000  100.000
LGA    I    31_A      I    31_A     0.668     0    0.125   1.398     3.333   92.857   79.286
LGA    H    32_A      H    32_A     1.808     0    0.580   1.035     4.759   65.595   52.571
LGA    N    33_A      N    33_A     4.125     0    0.627   1.270     9.023   48.571   28.274
LGA    E    34_A      E    34_A     2.114     0    0.017   0.960     4.611   63.571   53.228
LGA    D    35_A      D    35_A     3.147     0    0.222   1.098     4.746   61.190   50.000
LGA    I    36_A      I    36_A     0.832     0    0.028   0.107     1.249   88.214   90.536
LGA    T    37_A      T    37_A     0.392     0    0.051   0.098     0.484  100.000  100.000
LGA    Y    38_A      Y    38_A     0.209     0    0.009   0.047     0.396  100.000  100.000
LGA    D    39_A      D    39_A     0.114     0    0.014   0.069     0.689  100.000   96.429
LGA    E    40_A      E    40_A     0.208     0    0.041   0.130     0.498  100.000  100.000
LGA    L    41_A      L    41_A     0.207     0    0.016   0.056     0.294  100.000  100.000
LGA    V    42_A      V    42_A     0.234     0    0.025   1.336     2.637  100.000   88.844
LGA    L    43_A      L    43_A     0.284     0    0.032   1.253     2.914  100.000   90.238
LGA    M    44_A      M    44_A     0.141     0    0.023   1.074     2.094  100.000   89.881
LGA    M    45_A      M    45_A     0.154     0    0.056   0.064     0.345  100.000  100.000
LGA    Q    46_A      Q    46_A     0.222     0    0.041   0.251     0.689  100.000   98.942
LGA    R    47_A      R    47_A     0.101     0    0.020   1.538     9.137  100.000   59.177
LGA    V    48_A      V    48_A     0.120     0    0.076   0.499     1.568  100.000   96.122
LGA    F    49_A      F    49_A     0.129     0    0.052   0.137     0.356  100.000  100.000
LGA    R    50_A      R    50_A     0.173     0    0.082   0.834     3.013  100.000   84.762
LGA    G    51_A      G    51_A     0.262     0    0.102   0.102     0.485  100.000  100.000
LGA    K    52_A      K    52_A     0.401     0    0.025   0.810     3.167   92.976   84.180
LGA    L    53_A      L    53_A     1.544     0    0.126   1.257     3.237   72.976   70.119
LGA    L    54_A      L    54_A     1.665     0    0.061   1.240     4.004   75.000   69.464
LGA    S    55_A      S    55_A     1.651     0    0.012   0.062     1.841   77.143   75.714
LGA    N    56_A      N    56_A     1.302     0    0.024   0.527     2.306   83.690   79.405
LGA    D    57_A      D    57_A     0.791     0    0.009   0.053     1.143   88.214   88.214
LGA    E    58_A      E    58_A     0.508     0    0.026   0.606     2.916   95.238   79.683
LGA    V    59_A      V    59_A     0.496     0    0.017   1.330     2.537   97.619   85.034
LGA    T    60_A      T    60_A     0.382     0    0.026   0.159     0.582   97.619   97.279
LGA    I    61_A      I    61_A     0.354     0    0.009   0.021     0.723  100.000   96.429
LGA    K    62_A      K    62_A     0.206     0    0.033   0.133     0.330  100.000  100.000
LGA    Y    63_A      Y    63_A     0.207     0    0.040   0.136     0.542  100.000   98.413
LGA    K    64_A      K    64_A     0.388     0    0.037   0.595     3.516  100.000   77.566
LGA    A    65_A      A    65_A     0.485     0    0.027   0.032     0.716   97.619   96.190
LGA    E    66_A      E    66_A     1.004     0    0.644   0.607     3.191   75.833   74.339
LGA    R    67_A      R    67_A     1.877     0    0.214   1.479    12.631   79.286   39.567
LGA    G    68_A      G    68_A     1.590     0    0.092   0.092     1.615   75.000   75.000
LGA    D    69_A      D    69_A     1.545     0    0.027   1.020     2.313   86.190   77.560
LGA    L    70_A      L    70_A     0.536     0    0.065   1.356     3.155   95.238   82.321
LGA    I    71_A      I    71_A     0.134     0    0.011   0.057     0.289  100.000  100.000
LGA    T    72_A      T    72_A     0.264     0    0.016   0.046     0.394  100.000  100.000
LGA    I    73_A      I    73_A     0.296     0    0.045   0.066     0.491  100.000  100.000
LGA    F    74_A      F    74_A     0.310     0    0.031   0.101     0.633  100.000   98.268
LGA    D    75_A      D    75_A     0.322     0    0.018   0.133     0.494  100.000  100.000
LGA    S    76_A      S    76_A     0.344     0    0.041   0.038     0.396  100.000  100.000
LGA    S    77_A      S    77_A     0.635     0    0.017   0.561     1.097   95.238   92.143
LGA    D    78_A      D    78_A     0.417     0    0.012   0.081     0.579   97.619   97.619
LGA    L    79_A      L    79_A     0.248     0    0.022   0.065     0.360  100.000  100.000
LGA    S    80_A      S    80_A     0.294     0    0.034   0.673     2.286  100.000   94.127
LGA    F    81_A      F    81_A     0.475     0    0.013   0.197     0.981  100.000   94.805
LGA    A    82_A      A    82_A     0.317     0    0.026   0.030     0.442  100.000  100.000
LGA    I    83_A      I    83_A     0.167     0    0.030   0.124     0.507  100.000   98.810
LGA    Q    84_A      Q    84_A     0.163     0    0.138   0.895     4.591  100.000   78.783
LGA    C    85_A      C    85_A     0.591     0    0.010   0.021     0.688   90.476   90.476
LGA    S    86_A      S    86_A     0.782     0    0.620   0.797     4.811   75.952   66.667
LGA    R    87_A      R    87_A     3.506     0    0.546   1.423    10.590   32.500   19.827
LGA    I    88_A      I    88_A     8.529     0    0.038   0.578    11.846    7.500    3.988
LGA    L    89_A      L    89_A    12.773     0    0.049   0.104    18.866    0.000    0.000
LGA    K    90_A      K    90_A    15.018     0    0.020   0.496    17.441    0.000    2.540
LGA    L    91_A      L    91_A    22.267     0    0.016   1.248    24.217    0.000    0.000
LGA    T    92_A      T    92_A    26.517     0    0.055   1.118    29.957    0.000    0.000
LGA    L    93_A      L    93_A    34.049     0    0.032   1.094    35.703    0.000    0.000
LGA    F    94_A      F    94_A    39.559     0    0.026   0.053    42.934    0.000    0.000
LGA    V    95_A      V    95_A    46.789     0    0.022   1.330    48.710    0.000    0.000
LGA    N    96_A      N    96_A    52.294     0    0.053   0.091    56.603    0.000    0.000
LGA    G    97_A      G    97_A    47.413     0    0.078   0.078    48.733    0.000    0.000
LGA    Q    98_A      Q    98_A    44.407     0    0.093   1.292    49.977    0.000    0.000
LGA    P    99_A      P    99_A    38.119     0    0.687   0.608    40.045    0.000    0.000
LGA    R   100_A      R   100_A    41.029     0    0.390   1.420    43.122    0.000    0.000
LGA    P   101_A      P   101_A    44.535     0    0.173   0.172    46.406    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):    12.604         12.617                 12.708           77.427   72.022

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    1.04    79.598    79.431     6.418

LGA_LOCAL      RMSD:   1.037  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.671  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.604  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.237746 * X  +  -0.179576 * Y  +   0.954583 * Z  + -14.486269
  Y_new =   0.429536 * X  +   0.900885 * Y  +   0.062496 * Z  +  12.147277
  Z_new =  -0.871192 * X  +   0.395169 * Y  +   0.291316 * Z  +  -0.970450 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.065273  1.057625  0.935542   [DEG:   61.0357   60.5975   53.6026 ]
ZXZ:  1.636172  1.275194 -1.144956   [DEG:   93.7458   73.0632  -65.6011 ]
 
# END of job
