
#######################################################
#                                                     #
#                        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 (  823),  selected   97 , name one
# Molecule2: number of CA atoms   97 (  780),  selected   97 , 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:    44      10_A - 53_A        4.98    22.37
  LCS_AVERAGE:     37.69

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      11_A - 30_A        1.98    23.88
  LONGEST_CONTINUOUS_SEGMENT:    20      12_A - 31_A        1.86    23.81
  LCS_AVERAGE:     12.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      11_A - 25_A        0.95    22.81
  LONGEST_CONTINUOUS_SEGMENT:    15      12_A - 26_A        0.79    22.95
  LCS_AVERAGE:      8.57

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   97
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     E     4_A     E     4_A      9   11   23      4    7    9    9   10   12   14   15   16   17   22   25   27   28   30   33   37   37   38   39 
LCS_GDT     I     5_A     I     5_A      9   11   23      6    7    9    9   10   12   14   15   16   19   22   25   27   30   32   35   37   37   38   41 
LCS_GDT     K     6_A     K     6_A      9   11   23      6    7    9    9   10   12   14   15   16   17   22   25   27   28   32   35   37   37   38   39 
LCS_GDT     G     7_A     G     7_A      9   11   23      6    7    9    9   10   12   14   15   16   21   24   29   31   31   33   35   37   37   38   41 
LCS_GDT     Y     8_A     Y     8_A      9   11   39      6    7    9    9   10   16   18   21   25   28   29   31   32   34   34   35   38   39   40   41 
LCS_GDT     E     9_A     E     9_A      9   11   41      6    7    9   11   13   18   22   26   27   29   31   33   33   36   37   40   40   41   43   45 
LCS_GDT     Y    10_A     Y    10_A      9   18   44      6    7   10   13   19   21   26   29   31   32   35   35   37   38   39   41   43   46   47   49 
LCS_GDT     Q    11_A     Q    11_A     15   20   44      4    8   14   20   22   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     L    12_A     L    12_A     15   20   44      9   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     Y    13_A     Y    13_A     15   20   44      6   14   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     V    14_A     V    14_A     15   20   44      7   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     Y    15_A     Y    15_A     15   20   44      8   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     A    16_A     A    16_A     15   20   44      8   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     S    17_A     S    17_A     15   20   44      7   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     D    18_A     D    18_A     15   20   44      4   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     K    19_A     K    19_A     15   20   44      8   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     L    20_A     L    20_A     15   20   44      9   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   51   54 
LCS_GDT     F    21_A     F    21_A     15   20   44      9   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   51 
LCS_GDT     R    22_A     R    22_A     15   20   44      9   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     A    23_A     A    23_A     15   20   44      9   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     D    24_A     D    24_A     15   20   44      9   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     I    25_A     I    25_A     15   20   44      9   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     S    26_A     S    26_A     15   20   44      4   11   15   18   20   25   27   28   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     E    27_A     E    27_A      5   20   44      3    5   13   17   18   21   25   28   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     D    28_A     D    28_A      5   20   44      4    5    8   15   17   20   23   26   29   31   34   36   37   39   41   43   43   46   47   49 
LCS_GDT     Y    29_A     Y    29_A      5   20   44      4    5    6   15   17   19   22   25   28   31   33   34   37   39   41   43   43   46   47   49 
LCS_GDT     K    30_A     K    30_A      5   20   44      4    5    6    6   11   16   20   23   26   27   30   33   35   38   40   42   43   45   47   49 
LCS_GDT     T    31_A     T    31_A      5   20   44      4    5    6    7   17   20   22   25   27   31   32   34   36   38   41   43   43   46   47   49 
LCS_GDT     R    32_A     R    32_A      4    9   44      3    9   11   12   12   12   23   25   28   31   32   34   36   38   41   43   43   46   47   49 
LCS_GDT     G    33_A     G    33_A      5    9   44      3    5    5   19   23   25   27   28   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     R    34_A     R    34_A      5    9   44      3    5    5   17   23   25   27   28   31   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     K    35_A     K    35_A      5   11   44      3    5   16   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     L    36_A     L    36_A      5   11   44      3    5   10   21   23   25   27   28   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     L    37_A     L    37_A      5   11   44      3    5    5    8   11   18   25   28   31   32   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     R    38_A     R    38_A      5   11   44      3    6   17   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     F    39_A     F    39_A      4   11   44      9   15   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     N    40_A     N    40_A      5   11   44      3    6   11   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     G    41_A     G    41_A      5   11   44      0    5   18   21   23   25   27   29   32   33   35   36   37   39   41   43   43   46   47   49 
LCS_GDT     P    42_A     P    42_A      6   11   44      5   14   18   21   23   25   27   29   32   33   35   36   37   39   41   48   51   52   54   55 
LCS_GDT     V    43_A     V    43_A      6   11   44      9   15   18   21   23   25   27   29   32   33   35   37   43   48   49   51   52   53   55   56 
LCS_GDT     P    44_A     P    44_A      6   11   44      5    5   12   20   23   25   27   29   32   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     P    45_A     P    45_A      6   11   44      5    5    9   13   19   25   27   29   32   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     P    46_A     P    46_A      6   12   44      5    5    9   13   17   21   25   29   32   33   36   40   44   48   49   51   52   53   55   56 
LCS_GDT     G    47_A     G    47_A      7   12   44      3    7    8   11   17   21   25   29   32   33   35   36   37   39   44   49   51   53   55   56 
LCS_GDT     G    48_A     G    48_A      7   12   44      3    7    9   10   16   21   25   29   32   33   35   36   37   41   46   49   51   53   55   56 
LCS_GDT     S    49_A     S    49_A      7   12   44      3    7    9   10   13   14   16   20   28   32   34   35   37   41   46   49   51   53   55   56 
LCS_GDT     G    50_A     G    50_A      8   12   44      5    7    9   10   13   14   18   21   27   29   36   40   44   47   48   51   52   53   55   56 
LCS_GDT     G    51_A     G    51_A      8   12   44      5    7   10   13   14   16   19   25   29   33   36   40   44   48   49   51   52   53   55   56 
LCS_GDT     G    52_A     G    52_A      8   12   44      5    8   10   13   14   18   21   26   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     E    53_A     E    53_A      8   12   44      5    8   10   13   17   20   23   29   32   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     W    54_A     W    54_A      8   12   43      5    8   10   13   17   20   21   25   31   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     E    55_A     E    55_A      8   12   29      5    8   10   13   17   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     I    56_A     I    56_A      8   12   29      3    8   10   13   17   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     I    57_A     I    57_A      8   12   29      3    8   10   13   17   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     D    58_A     D    58_A      8   12   29      3    7   10   13   17   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     I    59_A     I    59_A      8   12   29      3    6   10   13   17   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     G    60_A     G    60_A      8   12   29      4    7    9   12   17   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     P    61_A     P    61_A      8   12   29      4    7    9   10   12   17   20   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     F    62_A     F    62_A      8   12   32      4    7    9   10   12   15   20   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     T    63_A     T    63_A      8   12   32      4    7    9   10   12   14   17   23   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     Q    64_A     Q    64_A      8   12   32      4    7    9   10   12   14   17   21   26   31   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     N    65_A     N    65_A      8   12   32      4    7    9   10   12   14   17   20   24   31   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     L    66_A     L    66_A      8   12   32      4    7    9   10   12   14   17   19   24   31   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     G    67_A     G    67_A      8   12   32      4    7    8    9   12   14   17   19   21   25   31   37   43   48   49   51   52   53   55   56 
LCS_GDT     K    68_A     K    68_A      8   11   32      4    5    8    9   12   14   17   19   24   29   35   41   44   48   49   51   52   53   55   56 
LCS_GDT     F    69_A     F    69_A      8   11   32      4    5    8   10   12   14   17   19   24   31   35   41   44   48   49   51   52   53   55   56 
LCS_GDT     A    70_A     A    70_A      3   11   32      3    3    4    4    7   10   13   18   20   23   27   29   31   37   43   48   52   53   54   56 
LCS_GDT     V    71_A     V    71_A      3    3   32      3    3    3    4    5    8   17   20   24   31   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     D    72_A     D    72_A      4    5   32      3    4    4    5    5    5   11   15   24   29   34   41   44   48   49   51   52   53   55   56 
LCS_GDT     E    73_A     E    73_A      4    5   32      3    4    4    5    5    6    8   11   12   16   19   25   30   37   43   48   49   51   54   55 
LCS_GDT     E    74_A     E    74_A      4    5   32      3    4    4    5    5    6    8   10   12   13   15   16   28   34   43   48   52   53   54   56 
LCS_GDT     N    75_A     N    75_A      4    5   32      3    4    4    5    6    7   14   17   25   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     K    76_A     K    76_A      3    5   32      3    3    3   10   10   14   18   22   27   32   36   40   44   47   48   51   52   53   55   56 
LCS_GDT     I    77_A     I    77_A      3    4   32      3    3    8   10   12   16   20   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     G    78_A     G    78_A      3    5   32      3    3    4    7   14   17   20   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     Q    79_A     Q    79_A      4    5   32      3    3    8   13   17   20   21   22   25   28   34   37   42   48   49   51   52   53   55   56 
LCS_GDT     Y    80_A     Y    80_A      4    9   32      3    3    4    5    9   20   21   22   24   27   30   32   36   42   46   50   51   53   55   55 
LCS_GDT     G    81_A     G    81_A      7    9   32      3    6    7    8    9   10   11   20   26   30   36   40   44   48   49   51   52   53   55   56 
LCS_GDT     R    82_A     R    82_A      7    9   32      3    6    7    8    9   10   19   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     L    83_A     L    83_A      7    9   32      3    6    7    8    9   14   20   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     T    84_A     T    84_A      7    9   32      3    6    7    9   12   14   20   24   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     F    85_A     F    85_A      7    9   32      3    5    8    9   12   14   18   22   27   32   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     N    86_A     N    86_A      7    9   32      5    6    9   10   13   14   17   21   24   31   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     K    87_A     K    87_A      7    9   32      3    6    9   10   13   14   16   21   24   31   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     V    88_A     V    88_A      5    9   32      3    5    6    8    9   14   18   23   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     I    89_A     I    89_A      5   12   32      3    7    9   13   17   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     R    90_A     R    90_A     11   12   32      3    9   11   13   17   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     P    91_A     P    91_A     11   12   32      3    9   11   12   13   18   18   19   23   27   30   34   39   44   49   51   52   53   55   56 
LCS_GDT     C    92_A     C    92_A     11   12   32      5    9   11   13   17   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     M    93_A     M    93_A     11   12   32      3    9   11   12   13   18   19   22   27   31   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     K    94_A     K    94_A     11   12   24      3    9   11   13   17   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     K    95_A     K    95_A     11   12   24      4    9   11   12   14   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     T    96_A     T    96_A     11   12   24      4    9   11   13   17   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     I    97_A     I    97_A     11   12   24      4    9   11   12   17   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     Y    98_A     Y    98_A     11   12   24      4    9   11   12   17   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_GDT     E    99_A     E    99_A     11   12   24      4    9   11   12   17   20   21   25   29   33   36   40   44   48   49   51   52   53   55   56 
LCS_GDT     N   100_A     N   100_A     11   12   24      3    7    9   12   16   20   21   25   29   33   36   41   44   48   49   51   52   53   55   56 
LCS_AVERAGE  LCS_A:  19.73  (   8.57   12.92   37.69 )

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      9     15     18     21     23     25     27     29     32     33     36     41     44     48     49     51     52     53     55     56 
GDT PERCENT_AT   9.28  15.46  18.56  21.65  23.71  25.77  27.84  29.90  32.99  34.02  37.11  42.27  45.36  49.48  50.52  52.58  53.61  54.64  56.70  57.73
GDT RMS_LOCAL    0.23   0.57   0.83   1.07   1.22   1.44   1.67   2.46   2.86   2.94   3.79   4.27   4.35   4.74   4.84   4.98   5.21   5.27   5.52   5.65
GDT RMS_ALL_AT  22.62  22.67  22.53  22.25  22.26  22.32  22.38  22.33  22.27  22.21  21.94  21.82  22.15  21.83  21.74  21.82  21.78  21.73  21.98  21.94

# Checking swapping
#   possible swapping detected:  E     9_A      E     9_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  F    62_A      F    62_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  Y    80_A      Y    80_A
#   possible swapping detected:  F    85_A      F    85_A
#   possible swapping detected:  E    99_A      E    99_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A    21.029     4    0.119   0.149    22.548    0.000    0.000
LGA    I     5_A      I     5_A    17.799     0    0.066   0.085    18.799    0.000    0.000
LGA    K     6_A      K     6_A    18.343     0    0.122   0.941    24.419    0.000    0.000
LGA    G     7_A      G     7_A    14.096     0    0.082   0.082    15.433    0.000    0.000
LGA    Y     8_A      Y     8_A     9.974     0    0.084   0.108    12.208    0.833    0.437
LGA    E     9_A      E     9_A     7.068     0    0.093   0.899     8.746   14.405    9.683
LGA    Y    10_A      Y    10_A     3.335     0    0.137   0.175     6.152   48.929   38.571
LGA    Q    11_A      Q    11_A     1.182     0    0.032   1.072     2.957   79.286   72.275
LGA    L    12_A      L    12_A     2.499     0    0.046   0.866     4.315   68.810   57.798
LGA    Y    13_A      Y    13_A     3.008     0    0.125   0.149     3.944   48.333   53.056
LGA    V    14_A      V    14_A     2.271     0    0.021   1.107     3.136   73.214   65.374
LGA    Y    15_A      Y    15_A     1.342     0    0.050   0.087     4.524   81.548   60.952
LGA    A    16_A      A    16_A     0.928     0    0.076   0.092     1.621   88.333   85.238
LGA    S    17_A      S    17_A     1.710     0    0.177   0.163     2.257   72.976   70.238
LGA    D    18_A      D    18_A     1.694     0    0.120   1.189     5.325   68.929   58.333
LGA    K    19_A      K    19_A     2.001     0    0.060   0.701     3.537   72.976   64.444
LGA    L    20_A      L    20_A     1.990     0    0.046   0.102     3.395   70.833   63.095
LGA    F    21_A      F    21_A     0.811     0    0.077   0.146     1.674   85.952   84.848
LGA    R    22_A      R    22_A     0.689     0    0.022   0.496     2.084   95.238   86.580
LGA    A    23_A      A    23_A     0.796     0    0.009   0.024     1.316   85.952   86.857
LGA    D    24_A      D    24_A     1.529     0    0.067   0.134     1.751   75.000   77.143
LGA    I    25_A      I    25_A     2.612     0    0.075   0.117     4.733   47.619   50.714
LGA    S    26_A      S    26_A     6.195     0    0.068   0.576     8.422   21.786   17.540
LGA    E    27_A      E    27_A     8.332     0    0.239   0.556    12.083    3.690    1.958
LGA    D    28_A      D    28_A    12.408     0    0.196   0.622    16.698    0.000    0.000
LGA    Y    29_A      Y    29_A    15.690     0    0.141   1.233    18.050    0.000    0.000
LGA    K    30_A      K    30_A    19.242     0    0.121   0.684    23.981    0.000    0.000
LGA    T    31_A      T    31_A    16.275     0    0.334   0.312    17.032    0.000    0.000
LGA    R    32_A      R    32_A    15.238     0    0.133   1.105    28.639    0.000    0.000
LGA    G    33_A      G    33_A     7.748     0    0.647   0.647    10.404    6.786    6.786
LGA    R    34_A      R    34_A     7.461     0    0.109   0.261    19.290   17.381    6.450
LGA    K    35_A      K    35_A     2.757     0    0.061   0.867     9.336   38.333   31.534
LGA    L    36_A      L    36_A     3.340     0    0.144   1.435     8.641   63.333   41.726
LGA    L    37_A      L    37_A     5.019     0    0.605   0.512    10.507   31.667   18.571
LGA    R    38_A      R    38_A     1.962     0    0.173   1.172     6.579   73.214   50.519
LGA    F    39_A      F    39_A     1.139     0    0.043   1.321     2.900   79.286   74.675
LGA    N    40_A      N    40_A     2.569     0    0.630   0.608     4.101   56.071   50.655
LGA    G    41_A      G    41_A     1.983     0    0.059   0.059     5.330   53.452   53.452
LGA    P    42_A      P    42_A     2.353     0    0.044   0.415     3.584   57.262   54.354
LGA    V    43_A      V    43_A     2.950     0    0.117   1.152     5.834   64.881   55.578
LGA    P    44_A      P    44_A     1.417     0    0.023   0.137     2.464   72.976   72.993
LGA    P    45_A      P    45_A     2.445     0    0.010   0.069     2.786   64.881   68.367
LGA    P    46_A      P    46_A     3.909     0    0.122   0.162     5.250   41.786   37.415
LGA    G    47_A      G    47_A     4.184     0    0.646   0.646     4.184   43.452   43.452
LGA    G    48_A      G    48_A     4.335     0    0.563   0.563     7.216   26.905   26.905
LGA    S    49_A      S    49_A     9.198     0    0.630   0.781    11.483    3.690    2.460
LGA    G    50_A      G    50_A    12.551     0    0.238   0.238    12.551    0.119    0.119
LGA    G    51_A      G    51_A    10.518     0    0.188   0.188    11.731    0.000    0.000
LGA    G    52_A      G    52_A     8.030     0    0.158   0.158     8.818   10.476   10.476
LGA    E    53_A      E    53_A     4.176     0    0.019   0.857     6.263   31.548   27.725
LGA    W    54_A      W    54_A     6.115     0    0.117   0.257     8.503   14.643   26.633
LGA    E    55_A      E    55_A    10.548     0    0.123   1.297    12.211    0.714    0.635
LGA    I    56_A      I    56_A    15.918     0    0.168   0.655    19.402    0.000    0.000
LGA    I    57_A      I    57_A    20.115     0    0.190   1.123    22.175    0.000    0.000
LGA    D    58_A      D    58_A    26.696     0    0.202   0.468    32.156    0.000    0.000
LGA    I    59_A      I    59_A    28.618     0    0.137   0.168    32.380    0.000    0.000
LGA    G    60_A      G    60_A    35.922     0    0.102   0.102    37.341    0.000    0.000
LGA    P    61_A      P    61_A    41.303     0    0.128   0.363    43.575    0.000    0.000
LGA    F    62_A      F    62_A    37.686     0    0.054   1.450    38.572    0.000    0.000
LGA    T    63_A      T    63_A    34.804     0    0.032   1.148    36.597    0.000    0.000
LGA    Q    64_A      Q    64_A    40.360     0    0.078   0.851    42.574    0.000    0.000
LGA    N    65_A      N    65_A    42.497     0    0.096   0.106    47.502    0.000    0.000
LGA    L    66_A      L    66_A    37.013     0    0.048   0.238    38.663    0.000    0.000
LGA    G    67_A      G    67_A    38.266     0    0.196   0.196    40.445    0.000    0.000
LGA    K    68_A      K    68_A    42.672     0    0.257   1.230    51.788    0.000    0.000
LGA    F    69_A      F    69_A    40.261     0    0.591   1.458    40.901    0.000    0.000
LGA    A    70_A      A    70_A    38.556     0    0.626   0.589    39.162    0.000    0.000
LGA    V    71_A      V    71_A    36.127     0    0.616   0.804    38.672    0.000    0.000
LGA    D    72_A      D    72_A    40.278     0    0.607   0.742    42.759    0.000    0.000
LGA    E    73_A      E    73_A    39.989     0    0.150   1.223    47.232    0.000    0.000
LGA    E    74_A      E    74_A    35.277     0    0.080   1.308    36.839    0.000    0.000
LGA    N    75_A      N    75_A    33.232     0    0.527   0.504    34.975    0.000    0.000
LGA    K    76_A      K    76_A    32.866     0    0.617   0.466    40.532    0.000    0.000
LGA    I    77_A      I    77_A    26.626     0    0.547   0.575    28.943    0.000    0.000
LGA    G    78_A      G    78_A    24.149     0    0.253   0.253    25.152    0.000    0.000
LGA    Q    79_A      Q    79_A    24.182     0    0.666   1.201    24.795    0.000    0.000
LGA    Y    80_A      Y    80_A    25.344     0    0.245   1.271    27.646    0.000    0.000
LGA    G    81_A      G    81_A    28.977     0    0.208   0.208    30.828    0.000    0.000
LGA    R    82_A      R    82_A    34.877     0    0.152   1.287    47.109    0.000    0.000
LGA    L    83_A      L    83_A    33.319     0    0.172   0.192    37.319    0.000    0.000
LGA    T    84_A      T    84_A    39.021     0    0.073   0.263    43.088    0.000    0.000
LGA    F    85_A      F    85_A    38.403     0    0.179   1.332    42.239    0.000    0.000
LGA    N    86_A      N    86_A    41.367     0    0.342   1.118    43.511    0.000    0.000
LGA    K    87_A      K    87_A    39.061     0    0.060   0.902    41.742    0.000    0.000
LGA    V    88_A      V    88_A    35.082     0    0.129   0.148    37.581    0.000    0.000
LGA    I    89_A      I    89_A    29.475     0    0.200   1.077    31.368    0.000    0.000
LGA    R    90_A      R    90_A    25.534     0    0.234   0.942    36.813    0.000    0.000
LGA    P    91_A      P    91_A    19.907     0    0.060   0.156    21.196    0.000    0.000
LGA    C    92_A      C    92_A    18.803     0    0.081   0.783    20.441    0.000    0.000
LGA    M    93_A      M    93_A    13.987     0    0.086   0.269    15.812    0.000    0.000
LGA    K    94_A      K    94_A    12.380     0    0.015   0.206    14.273    0.000    0.000
LGA    K    95_A      K    95_A    11.273     0    0.115   0.597    16.505    0.000    0.000
LGA    T    96_A      T    96_A    12.324     0    0.026   0.088    14.086    0.000    0.000
LGA    I    97_A      I    97_A    14.594     0    0.010   0.417    16.513    0.000    0.000
LGA    Y    98_A      Y    98_A    18.525     0    0.156   0.184    20.988    0.000    0.000
LGA    E    99_A      E    99_A    20.967     0    0.039   0.984    22.445    0.000    0.000
LGA    N   100_A      N   100_A    25.703     0    0.271   0.408    27.113    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       97     388    388  100.00     780    780  100.00                97
SUMMARY(RMSD_GDC):    17.169         17.121                 17.831           21.211   19.243

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     29    2.46    29.897    25.848     1.135

LGA_LOCAL      RMSD:   2.455  Number of atoms:   29  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.335  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  17.169  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.397662 * X  +  -0.702873 * Y  +   0.589775 * Z  +  21.009411
  Y_new =  -0.172660 * X  +   0.688625 * Y  +   0.704261 * Z  +  15.170221
  Z_new =  -0.901140 * X  +   0.178227 * Y  +  -0.395198 * Z  +  51.338764 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.731966  1.122392  2.717922   [DEG: -156.5301   64.3083  155.7255 ]
ZXZ:  2.444437  1.977080 -1.375536   [DEG:  140.0559  113.2784  -78.8124 ]
 
# END of job
