
#######################################################
#                                                     #
#                        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:    54      47_A - 100_A       4.91    20.28
  LCS_AVERAGE:     48.18

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      52_A - 100_A       1.55    19.38
  LCS_AVERAGE:     31.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45      53_A - 97_A        0.94    19.28
  LCS_AVERAGE:     24.71

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      3   11   39      3    3    4    8   11   14   19   24   26   32   33   34   37   37   38   38   41   43   44   48 
LCS_GDT     I     5_A     I     5_A      3   12   39      3    3    9   10   11   13   18   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     K     6_A     K     6_A      3   12   39      3    3    3    5    8   13   18   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     G     7_A     G     7_A      7   12   39      3    4    9   10   11   13   14   15   18   30   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     Y     8_A     Y     8_A      8   12   39      3    7    8   10   11   13   14   15   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     E     9_A     E     9_A      8   12   39      3    7    9   10   12   15   19   24   26   32   33   34   37   37   38   38   41   43   44   48 
LCS_GDT     Y    10_A     Y    10_A      8   12   39      3    7    9   10   12   15   19   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     Q    11_A     Q    11_A      8   12   39      3    7    9   10   11   15   19   24   26   32   33   34   37   37   38   38   41   41   44   48 
LCS_GDT     L    12_A     L    12_A      8   12   39      4    7    9   10   12   15   19   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     Y    13_A     Y    13_A      8   12   39      4    7    9   10   12   15   19   24   26   32   33   34   37   37   38   38   41   44   48   49 
LCS_GDT     V    14_A     V    14_A      8   12   39      4    7    9   10   11   13   19   24   26   28   32   34   37   37   38   38   41   44   45   48 
LCS_GDT     Y    15_A     Y    15_A      8   12   39      4    7    9   10   11   13   18   24   26   28   32   34   37   37   38   38   40   44   45   48 
LCS_GDT     A    16_A     A    16_A      5   12   39      3    4    6    8   11   13   14   15   17   20   22   24   26   29   34   38   39   42   44   48 
LCS_GDT     S    17_A     S    17_A      5   12   39      3    4    5    9   11   13   14   15   17   22   27   31   31   34   35   37   39   42   44   48 
LCS_GDT     D    18_A     D    18_A      5   12   39      3    5    5    8   12   15   19   24   26   28   32   34   37   37   38   38   44   47   47   52 
LCS_GDT     K    19_A     K    19_A      6   12   39      4    5    7   10   12   15   19   24   26   30   32   34   37   37   38   40   44   47   53   56 
LCS_GDT     L    20_A     L    20_A      6   12   39      4    5    8   10   11   14   18   23   26   32   34   46   49   50   52   53   53   54   55   56 
LCS_GDT     F    21_A     F    21_A      7   12   39      4    6    8   10   11   14   18   24   26   32   33   47   49   51   52   53   53   54   55   56 
LCS_GDT     R    22_A     R    22_A      7   12   39      4    6    8   10   11   15   19   24   39   49   49   50   50   51   52   53   53   54   55   55 
LCS_GDT     A    23_A     A    23_A      7   12   39      4    6    8   10   11   14   19   24   26   32   33   34   37   37   38   38   45   51   53   54 
LCS_GDT     D    24_A     D    24_A      7   12   39      4    6    8   10   11   11   17   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     I    25_A     I    25_A      7   12   39      3    6    8   10   12   15   19   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     S    26_A     S    26_A      7   12   39      3    6    8   10   11   15   19   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     E    27_A     E    27_A      7   12   39      3    5    8   10   12   15   19   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     D    28_A     D    28_A      5   12   39      3    4    8   10   12   15   19   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     Y    29_A     Y    29_A      5   12   39      3    5    8   10   11   13   18   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     K    30_A     K    30_A      3   10   39      3    3    6    7   11   15   19   24   26   32   33   34   37   37   38   38   41   44   45   47 
LCS_GDT     T    31_A     T    31_A      3   10   39      3    5    6    7    9   14   19   24   26   32   33   34   37   37   38   38   41   44   45   47 
LCS_GDT     R    32_A     R    32_A      6   10   39      3    6    6    7   12   15   19   24   26   32   33   34   37   37   38   38   41   44   45   47 
LCS_GDT     G    33_A     G    33_A      6   10   39      3    6    6    7    8   11   18   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     R    34_A     R    34_A      6   10   39      3    6    6    7   12   15   19   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     K    35_A     K    35_A      6   10   39      3    6    6    7    9   12   17   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     L    36_A     L    36_A      6   10   39      3    6    6    8   12   15   19   24   26   32   33   34   37   37   38   38   41   44   44   47 
LCS_GDT     L    37_A     L    37_A      6    9   39      3    6    6    8    9   10   14   24   26   32   33   34   37   37   38   38   41   44   45   48 
LCS_GDT     R    38_A     R    38_A      4    9   39      2    4    6    8    9   10   12   20   25   32   33   34   37   43   44   46   49   51   52   54 
LCS_GDT     F    39_A     F    39_A      4    9   39      3    4    6    8    9   10   13   24   26   32   39   41   41   42   44   51   52   53   54   54 
LCS_GDT     N    40_A     N    40_A      4    9   39      3    4    6    8    9   10   12   17   25   32   39   49   49   49   51   53   53   54   55   56 
LCS_GDT     G    41_A     G    41_A      4    9   39      3    4    6    8    9   10   12   17   25   32   34   38   44   45   50   51   53   54   55   56 
LCS_GDT     P    42_A     P    42_A      4    9   39      2    4    6    8    9   10   12   17   23   32   33   34   37   40   42   46   48   51   54   56 
LCS_GDT     V    43_A     V    43_A      4    9   26      3    4    6    8    9   10   12   13   17   19   24   29   34   38   40   43   47   49   52   55 
LCS_GDT     P    44_A     P    44_A      4    9   26      3    4    4    6    9   10   12   13   18   20   23   28   32   38   40   43   47   49   52   54 
LCS_GDT     P    45_A     P    45_A      5    9   22      3    5    6    7    9   10   12   13   15   18   23   27   30   36   40   43   47   49   51   54 
LCS_GDT     P    46_A     P    46_A      5    9   22      4    5    6    7    9   10   12   13   14   18   21   23   30   36   40   43   47   49   52   55 
LCS_GDT     G    47_A     G    47_A      5    9   54      4    5    6    7    8    8    9   11   14   18   21   23   26   30   35   41   47   49   52   55 
LCS_GDT     G    48_A     G    48_A      5    9   54      4    5    6    7    8    8    9   11   14   17   19   23   26   32   35   38   40   44   45   48 
LCS_GDT     S    49_A     S    49_A      5    9   54      4    5    6    7    8    8    9   10   12   13   19   20   23   23   25   31   36   41   43   48 
LCS_GDT     G    50_A     G    50_A      3    9   54      3    3    3    5    7    8    9   10   12   14   17   24   27   39   44   50   51   53   53   55 
LCS_GDT     G    51_A     G    51_A      3    9   54      3    5    6    7    8    8    9   27   36   44   48   49   49   50   51   52   53   54   55   56 
LCS_GDT     G    52_A     G    52_A      3   49   54      3    5    6   20   24   41   47   47   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     E    53_A     E    53_A     45   49   54      9   24   41   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     W    54_A     W    54_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     E    55_A     E    55_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     I    56_A     I    56_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     I    57_A     I    57_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     D    58_A     D    58_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     I    59_A     I    59_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     G    60_A     G    60_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     P    61_A     P    61_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     F    62_A     F    62_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     T    63_A     T    63_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     Q    64_A     Q    64_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     N    65_A     N    65_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     L    66_A     L    66_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     G    67_A     G    67_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     K    68_A     K    68_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     F    69_A     F    69_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     A    70_A     A    70_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     V    71_A     V    71_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     D    72_A     D    72_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     E    73_A     E    73_A     45   49   54     16   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     E    74_A     E    74_A     45   49   54     16   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     N    75_A     N    75_A     45   49   54     16   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     K    76_A     K    76_A     45   49   54     14   25   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     I    77_A     I    77_A     45   49   54     14   25   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     G    78_A     G    78_A     45   49   54     14   33   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     Q    79_A     Q    79_A     45   49   54     14   29   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     Y    80_A     Y    80_A     45   49   54     14   33   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     G    81_A     G    81_A     45   49   54     22   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     R    82_A     R    82_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     L    83_A     L    83_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     T    84_A     T    84_A     45   49   54     21   32   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     F    85_A     F    85_A     45   49   54     24   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     N    86_A     N    86_A     45   49   54     16   31   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     K    87_A     K    87_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     V    88_A     V    88_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     I    89_A     I    89_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     R    90_A     R    90_A     45   49   54     20   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     P    91_A     P    91_A     45   49   54     12   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     C    92_A     C    92_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     M    93_A     M    93_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     K    94_A     K    94_A     45   49   54     25   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     K    95_A     K    95_A     45   49   54     21   34   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     T    96_A     T    96_A     45   49   54      6   30   41   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     I    97_A     I    97_A     45   49   54      9   32   42   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     Y    98_A     Y    98_A     18   49   54      5   10   34   42   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     E    99_A     E    99_A      6   49   54      3    5   17   23   33   46   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_GDT     N   100_A     N   100_A      6   49   54      3    6   38   46   47   47   48   48   49   49   49   50   50   51   52   53   53   54   55   56 
LCS_AVERAGE  LCS_A:  34.63  (  24.71   31.00   48.18 )

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     25     34     42     46     47     47     48     48     49     49     49     50     50     51     52     53     53     54     55     56 
GDT PERCENT_AT  25.77  35.05  43.30  47.42  48.45  48.45  49.48  49.48  50.52  50.52  50.52  51.55  51.55  52.58  53.61  54.64  54.64  55.67  56.70  57.73
GDT RMS_LOCAL    0.28   0.51   0.79   1.02   1.11   1.11   1.26   1.26   1.55   1.55   1.55   1.87   1.87   2.31   2.84   3.06   3.06   3.57   3.70   4.55
GDT RMS_ALL_AT  19.45  19.37  19.20  19.29  19.32  19.32  19.34  19.34  19.38  19.38  19.38  19.33  19.33  19.36  19.48  19.53  19.53  19.81  19.73  20.14

# Checking swapping
#   possible swapping detected:  Y     8_A      Y     8_A
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  F    62_A      F    62_A
#   possible swapping detected:  Y    98_A      Y    98_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    53.688     4    0.117   0.185    55.213    0.000    0.000
LGA    I     5_A      I     5_A    48.358     0    0.214   1.027    50.188    0.000    0.000
LGA    K     6_A      K     6_A    44.497     0    0.640   1.022    45.721    0.000    0.000
LGA    G     7_A      G     7_A    40.339     0    0.079   0.079    41.305    0.000    0.000
LGA    Y     8_A      Y     8_A    33.468     0    0.250   1.235    39.045    0.000    0.000
LGA    E     9_A      E     9_A    28.668     0    0.121   1.141    30.299    0.000    0.000
LGA    Y    10_A      Y    10_A    23.354     0    0.028   1.193    29.494    0.000    0.000
LGA    Q    11_A      Q    11_A    17.602     0    0.091   0.846    19.463    0.000    0.000
LGA    L    12_A      L    12_A    15.845     0    0.038   0.849    19.559    0.000    0.000
LGA    Y    13_A      Y    13_A    13.880     0    0.034   1.203    14.601    0.000    0.000
LGA    V    14_A      V    14_A    16.897     0    0.110   1.181    19.286    0.000    0.000
LGA    Y    15_A      Y    15_A    20.631     0    0.166   1.208    22.464    0.000    0.000
LGA    A    16_A      A    16_A    24.270     0    0.184   0.242    24.769    0.000    0.000
LGA    S    17_A      S    17_A    26.589     0    0.569   0.556    28.779    0.000    0.000
LGA    D    18_A      D    18_A    24.346     0    0.211   0.573    30.237    0.000    0.000
LGA    K    19_A      K    19_A    19.844     0    0.075   1.380    23.245    0.000    0.000
LGA    L    20_A      L    20_A    13.519     0    0.089   0.935    16.042    0.000    0.000
LGA    F    21_A      F    21_A    10.175     0    0.055   1.268    17.148    3.690    1.342
LGA    R    22_A      R    22_A     7.537     0    0.061   0.861    11.290    2.976    7.013
LGA    A    23_A      A    23_A    13.787     0    0.031   0.039    15.267    0.000    0.000
LGA    D    24_A      D    24_A    17.907     0    0.060   0.169    21.589    0.000    0.000
LGA    I    25_A      I    25_A    25.069     0    0.125   0.130    28.606    0.000    0.000
LGA    S    26_A      S    26_A    31.243     0    0.033   0.592    34.681    0.000    0.000
LGA    E    27_A      E    27_A    35.212     0    0.174   1.233    38.464    0.000    0.000
LGA    D    28_A      D    28_A    42.173     0    0.211   0.621    47.973    0.000    0.000
LGA    Y    29_A      Y    29_A    46.207     0    0.612   1.365    52.761    0.000    0.000
LGA    K    30_A      K    30_A    48.013     0    0.639   1.544    48.663    0.000    0.000
LGA    T    31_A      T    31_A    45.052     0    0.606   0.522    47.832    0.000    0.000
LGA    R    32_A      R    32_A    38.140     0    0.555   1.497    40.733    0.000    0.000
LGA    G    33_A      G    33_A    36.034     0    0.128   0.128    37.160    0.000    0.000
LGA    R    34_A      R    34_A    30.837     0    0.058   0.320    34.911    0.000    0.000
LGA    K    35_A      K    35_A    25.605     0    0.064   1.234    29.596    0.000    0.000
LGA    L    36_A      L    36_A    22.724     0    0.568   0.970    24.080    0.000    0.000
LGA    L    37_A      L    37_A    18.415     0    0.605   0.518    21.296    0.000    0.000
LGA    R    38_A      R    38_A    12.149     0    0.133   1.316    14.222    0.000    0.000
LGA    F    39_A      F    39_A     9.777     0    0.198   1.365    12.314    0.476    0.173
LGA    N    40_A      N    40_A     9.455     0    0.092   0.309    10.791    1.071    4.881
LGA    G    41_A      G    41_A    14.611     0    0.207   0.207    18.111    0.000    0.000
LGA    P    42_A      P    42_A    19.624     0    0.099   0.374    21.809    0.000    0.000
LGA    V    43_A      V    43_A    19.835     0    0.411   0.491    21.124    0.000    0.000
LGA    P    44_A      P    44_A    19.965     0    0.112   0.260    19.965    0.000    0.000
LGA    P    45_A      P    45_A    20.178     0    0.648   0.824    23.100    0.000    0.000
LGA    P    46_A      P    46_A    15.972     0    0.657   0.665    16.758    0.000    0.000
LGA    G    47_A      G    47_A    17.436     0    0.103   0.103    18.544    0.000    0.000
LGA    G    48_A      G    48_A    20.953     0    0.581   0.581    20.953    0.000    0.000
LGA    S    49_A      S    49_A    19.529     0    0.470   0.654    22.952    0.000    0.000
LGA    G    50_A      G    50_A    16.964     0    0.115   0.115    18.213    0.000    0.000
LGA    G    51_A      G    51_A    11.595     0    0.223   0.223    13.571    0.000    0.000
LGA    G    52_A      G    52_A     6.714     0    0.109   0.109     7.963   22.262   22.262
LGA    E    53_A      E    53_A     1.748     0    0.186   1.333     8.795   67.619   40.741
LGA    W    54_A      W    54_A     0.587     0    0.104   0.193     1.386   92.857   84.694
LGA    E    55_A      E    55_A     0.985     0    0.054   1.108     6.421   88.214   63.492
LGA    I    56_A      I    56_A     1.117     0    0.037   0.060     1.239   81.429   81.429
LGA    I    57_A      I    57_A     0.985     0    0.037   0.068     0.985   90.476   90.476
LGA    D    58_A      D    58_A     1.018     0    0.040   1.106     5.548   85.952   63.750
LGA    I    59_A      I    59_A     0.675     0    0.100   0.125     0.802   92.857   91.667
LGA    G    60_A      G    60_A     0.783     0    0.063   0.063     0.888   90.476   90.476
LGA    P    61_A      P    61_A     0.710     0    0.033   0.100     1.013   90.476   87.891
LGA    F    62_A      F    62_A     0.731     0    0.032   0.260     1.966   90.476   84.026
LGA    T    63_A      T    63_A     0.420     0    0.034   0.076     0.540   97.619   98.639
LGA    Q    64_A      Q    64_A     0.362     0    0.040   0.697     2.448   97.619   85.979
LGA    N    65_A      N    65_A     0.502     0    0.054   0.758     3.176   92.857   79.226
LGA    L    66_A      L    66_A     0.312     0    0.059   1.010     3.954  100.000   88.333
LGA    G    67_A      G    67_A     0.453     0    0.041   0.041     0.476  100.000  100.000
LGA    K    68_A      K    68_A     0.449     0    0.030   1.053     4.306  100.000   83.016
LGA    F    69_A      F    69_A     0.412     0    0.041   0.163     1.419   97.619   90.649
LGA    A    70_A      A    70_A     0.509     0    0.050   0.050     0.640   95.238   94.286
LGA    V    71_A      V    71_A     0.322     0    0.031   0.093     0.504   97.619   98.639
LGA    D    72_A      D    72_A     0.832     0    0.032   0.529     2.264   88.214   82.738
LGA    E    73_A      E    73_A     1.110     0    0.041   0.353     2.793   83.690   76.032
LGA    E    74_A      E    74_A     1.047     0    0.025   0.241     1.792   81.429   81.481
LGA    N    75_A      N    75_A     1.088     0    0.096   0.199     1.323   83.690   84.821
LGA    K    76_A      K    76_A     2.057     0    0.061   0.082     3.266   66.786   62.328
LGA    I    77_A      I    77_A     1.927     0    0.034   0.642     3.985   70.833   67.143
LGA    G    78_A      G    78_A     1.395     0    0.054   0.054     1.563   79.286   79.286
LGA    Q    79_A      Q    79_A     1.552     0    0.073   1.272     6.896   79.286   54.233
LGA    Y    80_A      Y    80_A     1.070     0    0.146   0.140     2.735   83.690   74.524
LGA    G    81_A      G    81_A     0.123     0    0.033   0.033     0.393  100.000  100.000
LGA    R    82_A      R    82_A     1.026     0    0.046   1.273     3.076   83.690   70.433
LGA    L    83_A      L    83_A     0.986     0    0.058   0.770     2.749   85.952   80.833
LGA    T    84_A      T    84_A     1.707     0    0.086   1.167     4.617   72.857   62.517
LGA    F    85_A      F    85_A     1.141     0    0.060   0.067     1.569   79.286   83.117
LGA    N    86_A      N    86_A     1.770     0    0.023   0.123     2.473   77.143   70.952
LGA    K    87_A      K    87_A     0.666     0    0.061   0.852     3.062   88.214   82.116
LGA    V    88_A      V    88_A     0.384     0    0.058   0.068     0.479  100.000  100.000
LGA    I    89_A      I    89_A     0.894     0    0.058   1.034     3.291   90.476   75.952
LGA    R    90_A      R    90_A     1.250     0    0.064   0.982     4.900   79.286   67.879
LGA    P    91_A      P    91_A     1.259     0    0.043   0.250     2.407   85.952   78.027
LGA    C    92_A      C    92_A     0.481     0    0.114   0.115     0.809   97.619   95.238
LGA    M    93_A      M    93_A     0.652     0    0.019   0.725     2.577   90.476   86.310
LGA    K    94_A      K    94_A     0.602     0    0.069   0.489     2.457   92.857   84.815
LGA    K    95_A      K    95_A     0.574     0    0.043   0.311     1.677   92.857   86.561
LGA    T    96_A      T    96_A     1.426     0    0.093   0.920     4.713   79.286   66.190
LGA    I    97_A      I    97_A     0.907     0    0.127   0.687     2.968   75.476   76.310
LGA    Y    98_A      Y    98_A     2.911     0    0.033   0.136     9.363   69.048   34.325
LGA    E    99_A      E    99_A     4.079     0    0.614   1.176     9.842   57.024   28.095
LGA    N   100_A      N   100_A     2.099     0    0.227   0.279     5.776   59.405   48.095

# 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):    17.548         17.502                 17.665           42.822   38.901

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     48    1.26    46.649    43.675     3.520

LGA_LOCAL      RMSD:   1.263  Number of atoms:   48  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.339  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  17.548  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.398241 * X  +  -0.073743 * Y  +  -0.914312 * Z  +  13.065470
  Y_new =  -0.712139 * X  +   0.603395 * Y  +  -0.358848 * Z  +  16.378592
  Z_new =   0.578154 * X  +   0.794025 * Y  +   0.187782 * Z  +  28.583673 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.060903 -0.616464  1.338569   [DEG:  -60.7853  -35.3208   76.6944 ]
ZXZ: -1.196790  1.381893  0.629357   [DEG:  -68.5710   79.1766   36.0595 ]
 
# END of job
