
#######################################################
#                                                     #
#                        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        4.66    14.13
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.60    14.62
  LCS_AVERAGE:     74.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      15_A - 52_A        0.97    14.50
  LCS_AVERAGE:     35.06

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     38   74   78     14   36   58   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     38   74   78     18   50   61   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     38   74   78     24   57   61   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     38   74   78     35   57   61   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     38   74   78     35   57   61   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     38   74   78     35   57   61   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     38   74   78     35   57   61   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     38   74   78     34   57   61   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     38   74   78     28   57   61   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    24_A     E    24_A     38   74   78     29   57   61   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     38   74   78     35   57   61   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     38   74   78     35   57   61   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     38   74   78     35   57   61   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     38   74   78     35   57   61   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     38   74   78     35   57   61   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     38   74   78     35   57   61   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     38   74   78     35   57   61   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     38   74   78     35   57   61   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     38   74   78     28   57   61   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     38   74   78     24   57   61   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     38   74   78     13   57   61   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     38   74   78     20   57   61   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     38   74   78     20   57   61   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     38   74   78     20   57   61   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     38   74   78     24   57   61   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     38   74   78     34   57   61   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     38   74   78     35   57   61   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     38   74   78     24   57   61   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     38   74   78     35   57   61   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     38   74   78     35   57   61   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     38   74   78     24   57   61   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     38   74   78     24   57   61   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     38   74   78     35   57   61   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     38   74   78     35   57   61   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     38   74   78     24   57   61   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     38   74   78     24   57   61   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     38   74   78      3    4   26   56   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    52_A     K    52_A     38   74   78      5   37   61   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   10   45   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   12   28   62   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   21   44   64   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      8   35   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      8   37   61   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   44   61   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     11   49   61   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     28   57   61   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     35   57   61   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     35   57   61   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     35   57   61   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     35   57   61   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     23   57   61   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   38   61   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      4   11   20   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      5   43   61   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      5   43   61   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     21   57   61   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     35   57   61   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     35   57   61   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     35   57   61   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     35   57   61   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     35   57   61   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     35   57   61   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     35   57   61   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     35   57   61   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     35   57   61   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     35   57   61   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     35   57   61   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     34   57   61   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     35   57   61   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     35   57   61   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     35   57   61   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     24   57   61   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     19   74   78      4   11   22   37   58   70   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   18   28   33   44   61   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     14   15   78     10   12   14   14   14   14   15   15   16   17   18   20   27   33   42   57   72   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   15   78     10   12   14   14   14   14   15   15   16   17   18   20   27   31   38   46   53   65   73   76 
LCS_GDT     L    91_A     L    91_A     14   15   78     10   12   14   14   14   14   15   15   16   17   18   20   20   21   22   24   25   26   28   31 
LCS_GDT     T    92_A     T    92_A     14   15   78     10   12   14   14   14   14   15   15   16   17   18   20   20   21   22   24   25   26   27   29 
LCS_GDT     L    93_A     L    93_A     14   15   19     10   12   14   14   14   14   15   15   16   17   18   20   20   21   22   24   25   26   27   28 
LCS_GDT     F    94_A     F    94_A     14   15   19     10   12   14   14   14   14   15   15   16   17   18   20   20   21   22   24   25   26   27   28 
LCS_GDT     V    95_A     V    95_A     14   15   19     10   12   14   14   14   14   15   15   16   17   18   20   20   21   22   24   25   25   27   28 
LCS_GDT     N    96_A     N    96_A     14   15   19     10   12   14   14   14   14   15   15   16   17   18   20   20   21   22   22   25   25   27   28 
LCS_GDT     G    97_A     G    97_A     14   15   19     10   12   14   14   14   14   15   15   16   17   18   20   20   21   22   24   25   25   27   28 
LCS_GDT     Q    98_A     Q    98_A     14   15   19     10   12   14   14   14   14   15   15   16   17   18   20   20   21   22   24   25   26   27   28 
LCS_GDT     P    99_A     P    99_A     14   15   19      3   12   14   14   14   14   15   15   16   17   18   20   20   21   22   24   25   26   27   28 
LCS_GDT     R   100_A     R   100_A     14   15   19      3   11   14   14   14   14   15   15   16   16   18   20   20   21   22   24   25   25   27   28 
LCS_GDT     P   101_A     P   101_A      3   15   19      3    3    3    3   10   10   14   15   16   16   18   20   20   21   22   24   25   25   27   28 
LCS_AVERAGE  LCS_A:  64.21  (  35.06   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     35     57     61     67     71     72     73     73     73     73     73     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  40.23  65.52  70.11  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    0.34   0.57   0.68   0.91   1.13   1.20   1.28   1.28   1.28   1.28   1.28   1.60   1.60   1.60   1.60   1.60   1.60   2.15   2.15   2.73
GDT RMS_ALL_AT  14.72  14.73  14.76  14.69  14.67  14.65  14.65  14.65  14.65  14.65  14.65  14.62  14.62  14.62  14.62  14.62  14.62  14.55  14.55  14.45

# 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     1.997     0    0.492   0.975     5.034   63.929   57.778
LGA    L    16_A      L    16_A     1.261     0    0.040   0.047     1.397   85.952   83.690
LGA    I    17_A      I    17_A     0.657     0    0.015   0.116     1.392   92.857   89.405
LGA    I    18_A      I    18_A     0.421     0    0.033   0.078     0.723  100.000   95.238
LGA    K    19_A      K    19_A     0.373     0    0.034   0.725     3.667   97.619   82.011
LGA    A    20_A      A    20_A     0.403     0    0.020   0.020     0.649  100.000   98.095
LGA    Q    21_A      Q    21_A     0.290     0    0.020   0.128     0.606  100.000   98.942
LGA    L    22_A      L    22_A     0.540     0    0.034   0.078     1.339   97.619   90.655
LGA    G    23_A      G    23_A     0.462     0    0.019   0.019     0.462  100.000  100.000
LGA    E    24_A      E    24_A     0.303     0    0.056   0.727     2.474   97.619   89.841
LGA    D    25_A      D    25_A     0.278     0    0.069   0.152     0.964  100.000   96.429
LGA    I    26_A      I    26_A     0.575     0    0.029   0.076     0.933   90.476   91.667
LGA    R    27_A      R    27_A     0.969     0    0.076   0.195     2.183   92.857   79.437
LGA    R    28_A      R    28_A     0.524     0    0.065   0.984     2.686   95.238   83.593
LGA    I    29_A      I    29_A     0.384     0    0.023   0.150     0.641  100.000   97.619
LGA    P    30_A      P    30_A     0.370     0    0.034   0.063     0.466  100.000  100.000
LGA    I    31_A      I    31_A     0.249     0    0.064   0.266     0.870  100.000   97.619
LGA    H    32_A      H    32_A     0.364     0    0.330   0.345     1.972   95.357   85.333
LGA    N    33_A      N    33_A     0.901     0    0.048   0.788     3.530   88.214   75.179
LGA    E    34_A      E    34_A     1.116     0    0.058   0.586     4.310   79.286   70.053
LGA    D    35_A      D    35_A     1.128     0    0.258   1.207     4.395   79.286   71.667
LGA    I    36_A      I    36_A     1.323     0    0.029   1.207     3.267   79.286   72.321
LGA    T    37_A      T    37_A     1.433     0    0.025   0.105     1.561   81.429   80.204
LGA    Y    38_A      Y    38_A     1.531     0    0.018   0.215     2.125   77.143   73.690
LGA    D    39_A      D    39_A     1.419     0    0.030   0.116     1.813   81.429   79.286
LGA    E    40_A      E    40_A     1.013     0    0.025   0.209     1.320   85.952   85.450
LGA    L    41_A      L    41_A     0.834     0    0.045   0.131     1.040   90.476   88.214
LGA    V    42_A      V    42_A     1.249     0    0.028   0.062     1.691   81.429   78.980
LGA    L    43_A      L    43_A     0.992     0    0.019   0.075     1.026   88.214   89.345
LGA    M    44_A      M    44_A     0.736     0    0.083   1.017     4.672   90.476   73.869
LGA    M    45_A      M    45_A     1.026     0    0.048   0.922     2.738   83.690   78.452
LGA    Q    46_A      Q    46_A     1.123     0    0.024   0.228     1.549   81.429   81.481
LGA    R    47_A      R    47_A     0.969     0    0.015   1.194     4.714   85.952   76.407
LGA    V    48_A      V    48_A     0.702     0    0.081   1.236     2.855   88.214   82.109
LGA    F    49_A      F    49_A     1.293     0    0.085   0.064     2.126   75.119   82.424
LGA    R    50_A      R    50_A     1.722     0    0.519   0.935     8.348   75.119   45.844
LGA    G    51_A      G    51_A     3.507     0    0.036   0.036     4.394   48.810   48.810
LGA    K    52_A      K    52_A     1.645     0    0.131   1.160     4.077   72.857   69.206
LGA    L    53_A      L    53_A     2.467     0    0.087   1.019     3.673   57.500   58.452
LGA    L    54_A      L    54_A     2.966     0    0.069   0.153     3.757   57.143   53.631
LGA    S    55_A      S    55_A     2.943     0    0.078   0.080     3.219   57.262   54.841
LGA    N    56_A      N    56_A     1.886     0    0.033   1.169     6.426   72.976   57.798
LGA    D    57_A      D    57_A     1.624     0    0.031   0.141     2.148   75.000   72.917
LGA    E    58_A      E    58_A     1.197     0    0.030   0.602     2.301   85.952   78.730
LGA    V    59_A      V    59_A     0.961     0    0.020   0.051     1.257   88.214   87.891
LGA    T    60_A      T    60_A     0.450     0    0.065   0.156     0.720   95.238   94.558
LGA    I    61_A      I    61_A     0.602     0    0.022   0.066     1.162   92.857   89.405
LGA    K    62_A      K    62_A     0.534     0    0.030   0.096     0.775   90.476   90.476
LGA    Y    63_A      Y    63_A     0.487     0    0.023   0.141     0.617  100.000   94.444
LGA    K    64_A      K    64_A     0.273     0    0.052   0.788     5.409  100.000   74.074
LGA    A    65_A      A    65_A     0.577     0    0.076   0.121     0.871   90.476   90.476
LGA    E    66_A      E    66_A     1.554     0    0.661   0.988     4.702   67.619   58.307
LGA    R    67_A      R    67_A     2.729     0    0.254   1.363    13.931   62.857   30.043
LGA    G    68_A      G    68_A     1.953     0    0.131   0.131     1.998   72.857   72.857
LGA    D    69_A      D    69_A     1.610     0    0.021   1.034     2.516   81.667   74.286
LGA    L    70_A      L    70_A     0.759     0    0.045   1.355     3.224   92.976   81.190
LGA    I    71_A      I    71_A     0.167     0    0.040   0.047     0.748  100.000   96.429
LGA    T    72_A      T    72_A     0.442     0    0.024   0.055     0.774   97.619   94.558
LGA    I    73_A      I    73_A     0.579     0    0.030   0.077     0.927   90.476   90.476
LGA    F    74_A      F    74_A     0.600     0    0.030   0.079     0.647   90.476   90.476
LGA    D    75_A      D    75_A     0.508     0    0.043   0.072     0.555   95.238   95.238
LGA    S    76_A      S    76_A     0.188     0    0.090   0.658     2.305  100.000   94.127
LGA    S    77_A      S    77_A     0.735     0    0.054   0.550     1.176   90.476   88.968
LGA    D    78_A      D    78_A     0.663     0    0.021   0.061     0.935   90.476   90.476
LGA    L    79_A      L    79_A     0.285     0    0.029   1.368     2.927  100.000   85.893
LGA    S    80_A      S    80_A     0.353     0    0.034   0.701     2.187  100.000   92.540
LGA    F    81_A      F    81_A     0.740     0    0.047   0.110     2.353   90.476   77.836
LGA    A    82_A      A    82_A     0.646     0    0.031   0.035     0.813   92.857   92.381
LGA    I    83_A      I    83_A     0.267     0    0.011   0.114     0.571  100.000   98.810
LGA    Q    84_A      Q    84_A     0.236     0    0.025   1.001     5.255  100.000   76.402
LGA    C    85_A      C    85_A     0.360     0    0.182   0.187     1.180   92.976   90.635
LGA    S    86_A      S    86_A     0.555     0    0.587   0.729     3.948   74.643   67.778
LGA    R    87_A      R    87_A     4.055     0    0.496   1.405     8.755   29.524   48.095
LGA    I    88_A      I    88_A     8.409     0    0.040   0.596    10.982    8.690    4.881
LGA    L    89_A      L    89_A    12.746     0    0.060   0.117    18.675    0.000    0.000
LGA    K    90_A      K    90_A    15.231     0    0.044   0.871    17.497    0.000    0.000
LGA    L    91_A      L    91_A    22.321     0    0.039   0.099    25.204    0.000    0.000
LGA    T    92_A      T    92_A    26.756     0    0.020   1.094    30.123    0.000    0.000
LGA    L    93_A      L    93_A    34.191     0    0.066   1.155    35.889    0.000    0.000
LGA    F    94_A      F    94_A    39.614     0    0.041   0.092    42.905    0.000    0.000
LGA    V    95_A      V    95_A    46.861     0    0.020   0.045    50.515    0.000    0.000
LGA    N    96_A      N    96_A    52.182     0    0.081   0.126    56.882    0.000    0.000
LGA    G    97_A      G    97_A    46.800     0    0.029   0.029    48.387    0.000    0.000
LGA    Q    98_A      Q    98_A    44.005     0    0.093   1.056    48.181    0.000    0.000
LGA    P    99_A      P    99_A    37.909     0    0.705   0.625    39.748    0.000    0.000
LGA    R   100_A      R   100_A    41.325     0    0.076   1.210    42.976    0.000    0.000
LGA    P   101_A      P   101_A    43.963     0    0.137   0.145    47.342    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):    12.635         12.699                 12.678           72.510   67.939

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    1.28    77.874    78.673     5.287

LGA_LOCAL      RMSD:   1.281  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.645  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.635  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.777318 * X  +  -0.597093 * Y  +   0.198133 * Z  +  -7.408191
  Y_new =   0.048651 * X  +  -0.256945 * Y  +  -0.965201 * Z  +  48.732185
  Z_new =   0.627224 * X  +   0.759907 * Y  +  -0.170679 * Z  +  -8.807078 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.062507 -0.677983  1.791734   [DEG:    3.5814  -38.8456  102.6588 ]
ZXZ:  0.202463  1.742315  0.690035   [DEG:   11.6003   99.8273   39.5361 ]
 
# END of job
