
#######################################################
#                                                     #
#                        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 (  710),  selected   92 , name one
# Molecule2: number of CA atoms  375 ( 3019),  selected   92 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34     288_B - 321_B       4.77    11.80
  LCS_AVERAGE:      7.30

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20     302_B - 321_B       1.87    13.50
  LCS_AVERAGE:      2.94

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19     303_B - 321_B       0.89    14.03
  LCS_AVERAGE:      2.35

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     T   230_B     T   230_B      3    6   27      3    3    3    3    7    8   15   29   31   35   39   42   51   52   56   58   59   61   63   66 
LCS_GDT     G   231_B     G   231_B      3   10   27      3    3    3    5    9   22   27   37   40   45   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     A   232_B     A   232_B      7   10   27     10   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     R   233_B     R   233_B      7   10   27      9   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     F   234_B     F   234_B      7   10   27     10   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     M   235_B     M   235_B      7   10   27     10   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     T   236_B     T   236_B      7   10   27     10   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     I   237_B     I   237_B      7   10   27     10   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     G   238_B     G   238_B      7   10   27      3   16   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     S   239_B     S   239_B      3   10   27      3    5   11   19   29   33   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     E   240_B     E   240_B      3   10   27      3    6   20   29   32   34   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     N   241_B     N   241_B      3   10   27      3    3    3    4    5   32   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     D   242_B     D   242_B      3   13   27      3    3    3    4   14   17   23   28   41   45   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     D   243_B     D   243_B     12   13   27      6   11   11   12   12   13   13   14   25   38   48   50   52   52   53   58   59   61   63   66 
LCS_GDT     I   244_B     I   244_B     12   13   27      6   11   11   15   30   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     A   245_B     A   245_B     12   13   27      6   11   11   12   12   13   29   34   41   45   48   51   52   52   55   58   59   61   63   66 
LCS_GDT     F   246_B     F   246_B     12   13   27      6   11   11   12   12   24   29   37   41   45   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     M   247_B     M   247_B     12   13   27      6   11   23   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     G   248_B     G   248_B     12   13   27      6   11   18   26   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     M   249_B     M   249_B     12   13   27      6   11   18   26   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     V   250_B     V   250_B     12   13   27      5   11   22   28   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     E   251_B     E   251_B     12   13   27      6   11   11   17   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     S   252_B     S   252_B     12   13   27      6   11   11   12   22   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     V   253_B     V   253_B     12   13   27      6   11   11   17   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     G   254_B     G   254_B     12   13   27      3    4    9   12   17   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     A   255_B     A   255_B      3   13   27      3    3    3    4   12   13   13   13   16   20   25   30   35   46   51   54   58   61   63   64 
LCS_GDT     T   256_B     T   256_B      3    4   27      3    3    3    4    6    7    9   10   13   16   18   18   22   26   36   50   55   59   63   66 
LCS_GDT     I   257_B     I   257_B      3    5   26      3    3    3    4    7    9   10   11   14   16   18   18   20   22   23   32   46   53   59   66 
LCS_GDT     V   258_B     V   258_B      3    5   21      3    3    3    4    5    8    9   11   12   13   15   17   20   22   23   26   34   45   57   64 
LCS_GDT     I   259_B     I   259_B      4    7   21      3    4    5    5    7    8    9   10   12   13   15   17   19   22   23   25   25   26   28   31 
LCS_GDT     D   260_B     D   260_B      4    7   21      3    4    5    6    7    9   10   11   13   16   18   18   20   22   23   25   25   26   28   31 
LCS_GDT     D   261_B     D   261_B      4    7   21      3    4    5    6    8    9   10   11   14   16   18   18   20   22   23   25   25   26   26   27 
LCS_GDT     Q   262_B     Q   262_B      4    7   21      3    4    5    6    8    9   10   11   14   16   18   18   20   22   23   25   28   31   32   37 
LCS_GDT     C   263_B     C   263_B      3    7   21      3    3    4    5    8    9   10   11   14   16   18   18   20   22   23   27   29   31   32   35 
LCS_GDT     S   264_B     S   264_B      4    7   21      3    4    5    6    8    9   10   11   14   16   18   18   20   22   24   29   34   39   44   46 
LCS_GDT     G   265_B     G   265_B      4    7   21      3    3    4    6    8    9   10   11   14   16   18   18   21   25   27   30   32   38   42   47 
LCS_GDT     S   266_B     S   266_B      4    7   21      3    3    4    6    8    9   10   11   14   16   18   18   22   25   28   31   33   44   53   62 
LCS_GDT     R   267_B     R   267_B      4    7   21      3    4    4    6    8    9   10   11   14   16   18   18   20   25   27   30   32   38   45   61 
LCS_GDT     Y   268_B     Y   268_B      3    5   21      3    4    5    5    6    8   10   14   15   17   19   22   27   31   40   43   49   53   60   66 
LCS_GDT     F   269_B     F   269_B      3    5   21      3    4    5    5    6    9   12   14   16   19   22   25   33   39   47   56   56   61   63   66 
LCS_GDT     W   270_B     W   270_B      4    6   21      3    4    5    6    8   11   14   16   18   24   29   41   47   52   56   58   59   61   63   66 
LCS_GDT     N   271_B     N   271_B      4    6   21      3    4    5    6    6    7    8   11   18   20   20   23   30   43   49   55   59   61   63   66 
LCS_GDT     A   272_B     A   272_B      4    6   21      4    4    5    6    6    7    8   11   18   20   20   24   30   30   49   52   56   61   62   64 
LCS_GDT     S   273_B     S   273_B      4    8   21      4    4    5    6    7    8    8   10   12   20   20   23   30   30   32   36   48   61   62   64 
LCS_GDT     K   274_B     K   274_B      5    8   21      4    4    5    6    7    9   11   14   18   20   20   24   30   30   32   52   56   61   62   64 
LCS_GDT     P   275_B     P   275_B      5    8   21      4    4    5    6    7    8   10   11   13   15   18   23   24   27   32   36   37   40   41   46 
LCS_GDT     E   276_B     E   276_B      5    8   21      3    4    5    6    7    8   10   11   13   14   17   19   20   22   26   27   31   37   42   43 
LCS_GDT     G   277_B     G   277_B      8    9   19      3    4    7    8    8    9   10   11   12   14   17   19   19   21   24   28   32   37   42   43 
LCS_GDT     D   278_B     D   278_B      8    9   19      3    7    7    8    8    9   10   11   12   14   17   19   19   21   24   28   31   37   42   43 
LCS_GDT     V   279_B     V   279_B      8    9   19      6    7    7    8    8    9   10   11   12   14   17   20   22   25   28   30   32   37   42   43 
LCS_GDT     I   280_B     I   280_B      8    9   19      6    7    7    8    8    9   10   11   12   14   17   19   20   23   25   28   33   37   42   43 
LCS_GDT     K   281_B     K   281_B      8    9   19      6    7    7    8    8    9   10   11   12   14   17   19   22   24   26   30   33   37   42   43 
LCS_GDT     A   282_B     A   282_B      8    9   19      6    7    7    8    8    9   10   11   12   17   20   21   23   25   29   30   33   38   43   49 
LCS_GDT     I   283_B     I   283_B      8    9   19      6    7    7    8    8    9   10   11   12   16   20   21   23   25   29   30   33   37   42   46 
LCS_GDT     A   284_B     A   284_B      8    9   19      6    7    7    8    8    9   10   11   12   14   17   19   19   23   26   30   33   35   37   41 
LCS_GDT     E   285_B     E   285_B      6    9   19      3    3    4    7    8    9    9   10   11   11   12   13   14   19   21   27   30   34   36   38 
LCS_GDT     R   286_B     R   286_B      4    4   19      3    3    4    4    5    8   10   11   12   14   15   19   22   25   29   32   37   38   43   50 
LCS_GDT     Y   287_B     Y   287_B      4    4   19      1    3    4    6    8    9   10   11   14   16   18   19   23   25   33   36   42   50   58   66 
LCS_GDT     C   288_B     C   288_B      3    6   34      3    3    4    6    7    8   10   11   12   14   15   19   22   25   29   37   45   53   59   66 
LCS_GDT     D   289_B     D   289_B      5    7   34      3    5    6    7    7   10   11   16   18   25   33   42   47   52   56   58   59   61   63   66 
LCS_GDT     R   290_B     R   290_B      5    7   34      3    5    6    7    7   17   29   38   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     P   291_B     P   291_B      5    7   34      3   10   20   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     A   292_B     A   292_B      5    7   34      3    5   15   18   22   33   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     C   293_B     C   293_B      5    7   34      3    5    5    7   23   32   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     P   294_B     P   294_B      4    7   34      3    4    6    7    7    7    8   18   33   39   46   51   52   52   56   58   59   61   63   66 
LCS_GDT     T   295_B     T   295_B      4    7   34      3    4   11   21   30   33   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     K   296_B     K   296_B      6    6   34      3   10   16   20   26   28   31   39   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     D   297_B     D   297_B      6    6   34      3    4   11   17   24   30   34   40   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     Y   298_B     Y   298_B      6    6   34      3    4    5    6    6   10   23   40   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     P   299_B     P   299_B      6    6   34      3    4    5    6    6    6    7    8   14   24   32   42   45   52   56   58   59   61   63   66 
LCS_GDT     A   300_B     A   300_B      6    6   34      3    4    5    6    6    6    8    9   11   13   17   29   35   42   49   56   59   61   63   66 
LCS_GDT     H   301_B     H   301_B      6    6   34      3    4    5    6    6    7    8   12   15   29   34   38   44   52   56   58   59   61   63   66 
LCS_GDT     T   302_B     T   302_B      4   20   34      3    3    4    4    5    7   11   21   30   36   38   41   46   52   56   58   59   61   63   66 
LCS_GDT     R   303_B     R   303_B     19   20   34     13   19   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     F   304_B     F   304_B     19   20   34     13   19   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     D   305_B     D   305_B     19   20   34     13   19   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     H   306_B     H   306_B     19   20   34     13   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     V   307_B     V   307_B     19   20   34     13   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     L   308_B     L   308_B     19   20   34     13   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     G   309_B     G   309_B     19   20   34     13   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     M   310_B     M   310_B     19   20   34     13   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     A   311_B     A   311_B     19   20   34     13   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     K   312_B     K   312_B     19   20   34     13   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     E   313_B     E   313_B     19   20   34     13   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     Y   314_B     Y   314_B     19   20   34     13   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     N   315_B     N   315_B     19   20   34      8   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     V   316_B     V   316_B     19   20   34     13   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     E   317_B     E   317_B     19   20   34     10   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     G   318_B     G   318_B     19   20   34     10   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     A   319_B     A   319_B     19   20   34     10   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     I   320_B     I   320_B     19   20   34     10   21   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_GDT     F   321_B     F   321_B     19   20   34     10   20   26   29   33   36   38   42   43   46   49   51   52   52   56   58   59   61   63   66 
LCS_AVERAGE  LCS_A:   4.20  (   2.35    2.94    7.30 )

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     13     21     26     29     33     36     38     42     43     46     49     51     52     52     56     58     59     61     63     66 
GDT PERCENT_AT   3.47   5.60   6.93   7.73   8.80   9.60  10.13  11.20  11.47  12.27  13.07  13.60  13.87  13.87  14.93  15.47  15.73  16.27  16.80  17.60
GDT RMS_LOCAL    0.26   0.71   0.90   1.21   1.58   1.77   1.91   2.26   2.37   2.68   2.96   3.14   3.22   3.22   4.16   4.26   4.43   4.95   5.13   5.98
GDT RMS_ALL_AT  14.19  14.28  14.16  13.60  13.47  13.53  13.41  13.11  13.03  12.88  12.82  12.83  12.86  12.86  12.28  12.33  12.26  12.04  12.02  11.62

# Checking swapping
#   possible swapping detected:  E   240_B      E   240_B
#   possible swapping detected:  D   243_B      D   243_B
#   possible swapping detected:  F   246_B      F   246_B
#   possible swapping detected:  D   260_B      D   260_B
#   possible swapping detected:  D   261_B      D   261_B
#   possible swapping detected:  F   269_B      F   269_B
#   possible swapping detected:  E   276_B      E   276_B
#   possible swapping detected:  D   278_B      D   278_B
#   possible swapping detected:  Y   287_B      Y   287_B
#   possible swapping detected:  Y   298_B      Y   298_B
#   possible swapping detected:  F   304_B      F   304_B
#   possible swapping detected:  Y   314_B      Y   314_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T   230_B      T   230_B    10.038     0    0.617   0.578    12.060    1.905    2.313
LGA    G   231_B      G   231_B     5.858     0    0.318   0.318     6.985   35.476   35.476
LGA    A   232_B      A   232_B     2.422     0    0.632   0.570     5.281   62.857   55.524
LGA    R   233_B      R   233_B     1.193     0    0.110   1.325     3.955   81.429   66.883
LGA    F   234_B      F   234_B     1.039     0    0.080   0.589     2.852   85.952   80.303
LGA    M   235_B      M   235_B     1.383     0    0.073   0.652     3.155   79.286   74.286
LGA    T   236_B      T   236_B     1.313     0    0.135   0.124     1.355   81.429   81.429
LGA    I   237_B      I   237_B     1.566     0    0.380   0.743     3.010   68.929   69.107
LGA    G   238_B      G   238_B     1.657     0    0.079   0.079     3.054   65.357   65.357
LGA    S   239_B      S   239_B     4.055     0    0.346   0.341     5.090   45.357   40.794
LGA    E   240_B      E   240_B     2.298     0    0.378   1.480     6.447   55.595   51.111
LGA    N   241_B      N   241_B     3.731     0    0.437   0.427    10.379   42.500   24.702
LGA    D   242_B      D   242_B     6.514     0    0.367   1.249     9.790   18.095   10.952
LGA    D   243_B      D   243_B     6.237     0    0.565   1.174    10.628   27.976   15.298
LGA    I   244_B      I   244_B     3.720     0    0.037   0.204     5.071   40.476   36.786
LGA    A   245_B      A   245_B     6.016     0    0.047   0.050     7.565   25.238   21.619
LGA    F   246_B      F   246_B     5.061     0    0.046   1.301     5.882   36.429   29.957
LGA    M   247_B      M   247_B     1.660     0    0.100   0.901     4.076   75.476   65.952
LGA    G   248_B      G   248_B     2.555     0    0.017   0.017     2.902   61.071   61.071
LGA    M   249_B      M   249_B     2.523     0    0.021   1.169     4.475   65.000   56.845
LGA    V   250_B      V   250_B     1.302     0    0.032   0.095     2.829   77.262   69.728
LGA    E   251_B      E   251_B     2.390     0    0.207   0.332     3.482   63.333   58.360
LGA    S   252_B      S   252_B     3.424     0    0.165   0.708     3.647   51.786   48.968
LGA    V   253_B      V   253_B     2.388     0    0.231   1.320     3.948   55.595   57.619
LGA    G   254_B      G   254_B     3.639     0    0.429   0.429     7.100   32.976   32.976
LGA    A   255_B      A   255_B     9.452     0    0.593   0.593    11.059    3.690    2.952
LGA    T   256_B      T   256_B    13.710     0    0.628   0.637    17.032    0.000    0.000
LGA    I   257_B      I   257_B    15.862     0    0.612   1.038    18.024    0.000    0.000
LGA    V   258_B      V   258_B    17.170     0    0.013   1.121    20.224    0.000    0.000
LGA    I   259_B      I   259_B    21.955     0    0.642   1.196    28.311    0.000    0.000
LGA    D   260_B      D   260_B    20.530     0    0.115   0.826    21.036    0.000    0.000
LGA    D   261_B      D   261_B    20.924     0    0.581   1.201    25.069    0.000    0.000
LGA    Q   262_B      Q   262_B    19.225     0    0.591   1.164    20.348    0.000    0.000
LGA    C   263_B      C   263_B    23.817     0    0.658   0.966    28.098    0.000    0.000
LGA    S   264_B      S   264_B    21.489     0    0.035   0.074    22.345    0.000    0.000
LGA    G   265_B      G   265_B    20.465     0    0.544   0.544    21.674    0.000    0.000
LGA    S   266_B      S   266_B    18.199     0    0.240   0.238    18.417    0.000    0.000
LGA    R   267_B      R   267_B    18.197     0    0.629   1.062    24.212    0.000    0.000
LGA    Y   268_B      Y   268_B    16.210     0    0.583   1.534    23.965    0.000    0.000
LGA    F   269_B      F   269_B    13.400     0    0.643   1.260    14.148    0.000    0.000
LGA    W   270_B      W   270_B    10.116     0    0.566   1.617    11.486    0.357    1.599
LGA    N   271_B      N   271_B    11.065     0    0.123   1.070    14.085    0.000    0.000
LGA    A   272_B      A   272_B    11.979     0    0.193   0.240    12.169    0.000    0.000
LGA    S   273_B      S   273_B    13.112     0    0.019   0.597    15.013    0.000    0.000
LGA    K   274_B      K   274_B    13.760     0    0.118   0.839    16.715    0.000    0.476
LGA    P   275_B      P   275_B    18.815     0    0.640   0.846    22.030    0.000    0.000
LGA    E   276_B      E   276_B    23.106     0    0.256   0.751    26.200    0.000    0.000
LGA    G   277_B      G   277_B    26.479     0    0.458   0.458    28.256    0.000    0.000
LGA    D   278_B      D   278_B    28.907     0    0.277   0.796    29.786    0.000    0.000
LGA    V   279_B      V   279_B    28.806     0    0.029   1.159    31.327    0.000    0.000
LGA    I   280_B      I   280_B    29.030     0    0.026   1.516    30.121    0.000    0.000
LGA    K   281_B      K   281_B    26.819     0    0.027   0.547    27.668    0.000    0.000
LGA    A   282_B      A   282_B    26.106     0    0.091   0.095    26.504    0.000    0.000
LGA    I   283_B      I   283_B    26.982     0    0.078   0.107    28.640    0.000    0.000
LGA    A   284_B      A   284_B    27.524     0    0.567   0.566    27.756    0.000    0.000
LGA    E   285_B      E   285_B    28.042     0    0.051   0.773    36.155    0.000    0.000
LGA    R   286_B      R   286_B    21.353     0    0.627   1.581    23.843    0.000    0.000
LGA    Y   287_B      Y   287_B    17.644     0    0.617   1.420    19.177    0.000    0.000
LGA    C   288_B      C   288_B    16.716     0    0.618   0.761    19.088    0.000    0.000
LGA    D   289_B      D   289_B    10.951     0    0.627   0.509    14.817    2.976    1.488
LGA    R   290_B      R   290_B     5.359     0    0.058   1.322    12.551   30.833   13.723
LGA    P   291_B      P   291_B     1.477     0    0.074   0.168     3.358   83.929   71.497
LGA    A   292_B      A   292_B     3.798     0    0.062   0.081     6.270   39.048   34.667
LGA    C   293_B      C   293_B     3.163     0    0.102   0.796     4.982   43.929   47.302
LGA    P   294_B      P   294_B     6.103     0    0.580   0.609     8.154   24.048   18.231
LGA    T   295_B      T   295_B     4.116     0    0.038   0.169     6.762   31.310   34.014
LGA    K   296_B      K   296_B     6.044     0    0.419   0.709    12.827   25.476   12.751
LGA    D   297_B      D   297_B     5.427     0    0.073   0.756     8.855   23.810   16.190
LGA    Y   298_B      Y   298_B     5.948     0    0.717   1.456    10.165   16.190   12.817
LGA    P   299_B      P   299_B    10.010     0    0.661   0.650    11.598    1.190    1.088
LGA    A   300_B      A   300_B    11.669     0    0.336   0.464    12.906    0.357    0.286
LGA    H   301_B      H   301_B     9.865     0    0.475   1.185    15.545    1.190    0.476
LGA    T   302_B      T   302_B     8.551     0    0.174   0.201    12.307    8.690    5.374
LGA    R   303_B      R   303_B     2.395     0    0.562   1.140    12.600   59.881   35.368
LGA    F   304_B      F   304_B     2.317     0    0.047   1.170     7.708   66.786   42.294
LGA    D   305_B      D   305_B     2.427     0    0.038   0.189     3.414   64.762   58.274
LGA    H   306_B      H   306_B     1.885     0    0.014   1.457     6.320   72.976   52.762
LGA    V   307_B      V   307_B     1.352     0    0.022   0.061     1.737   81.429   77.755
LGA    L   308_B      L   308_B     1.364     0    0.022   0.046     1.937   81.429   77.143
LGA    G   309_B      G   309_B     1.654     0    0.078   0.078     1.684   72.857   72.857
LGA    M   310_B      M   310_B     1.433     0    0.011   1.320     5.985   81.429   68.095
LGA    A   311_B      A   311_B     0.930     0    0.014   0.013     1.006   88.214   88.667
LGA    K   312_B      K   312_B     1.181     0    0.073   0.904     3.779   79.286   69.312
LGA    E   313_B      E   313_B     1.621     0    0.024   1.208     5.642   75.000   53.228
LGA    Y   314_B      Y   314_B     1.764     0    0.262   0.416     3.966   63.690   73.373
LGA    N   315_B      N   315_B     1.550     0    0.523   1.100     2.772   68.929   68.988
LGA    V   316_B      V   316_B     1.367     0    0.119   1.282     3.873   81.429   74.762
LGA    E   317_B      E   317_B     1.321     0    0.172   1.021     5.776   81.429   62.381
LGA    G   318_B      G   318_B     1.437     0    0.040   0.040     1.690   77.143   77.143
LGA    A   319_B      A   319_B     1.187     0    0.048   0.063     1.301   81.429   81.429
LGA    I   320_B      I   320_B     1.218     0    0.087   0.099     1.656   79.286   80.357
LGA    F   321_B      F   321_B     1.450     0    0.194   1.234     5.146   81.429   63.723

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     710    710  100.00               375
SUMMARY(RMSD_GDC):    10.384         10.253                 10.840            8.300    7.377

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92  375    4.0     42    2.26    10.000     8.470     1.781

LGA_LOCAL      RMSD:   2.258  Number of atoms:   42  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  13.113  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:  10.384  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.485331 * X  +   0.849576 * Y  +  -0.206578 * Z  + -75.498238
  Y_new =  -0.874242 * X  +   0.468186 * Y  +  -0.128460 * Z  + -31.101280
  Z_new =  -0.012420 * X  +   0.242945 * Y  +   0.969961 * Z  +   4.608664 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.064012  0.012420  0.245420   [DEG:  -60.9634    0.7116   14.0615 ]
ZXZ: -1.014467  0.245728 -0.051076   [DEG:  -58.1247   14.0792   -2.9265 ]
 
# END of job
