
#######################################################
#                                                     #
#                        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:    97       4_A - 100_A       3.28     3.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43       6_A - 48_A        1.95     3.83
  LCS_AVERAGE:     32.14

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29       6_A - 34_A        0.93     4.03
  LCS_AVERAGE:     16.31

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   42   97      3    4    4    5   18   22   26   34   38   51   63   82   90   94   96   96   96   96   97   97 
LCS_GDT     I     5_A     I     5_A      3   42   97      3    4    4    9   30   38   60   75   80   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     K     6_A     K     6_A     29   43   97      3   14   32   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     G     7_A     G     7_A     29   43   97      3   26   33   42   53   67   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     Y     8_A     Y     8_A     29   43   97     12   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     E     9_A     E     9_A     29   43   97      9   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     Y    10_A     Y    10_A     29   43   97     12   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     Q    11_A     Q    11_A     29   43   97     12   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     L    12_A     L    12_A     29   43   97      9   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     Y    13_A     Y    13_A     29   43   97     10   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     V    14_A     V    14_A     29   43   97     10   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     Y    15_A     Y    15_A     29   43   97     10   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     A    16_A     A    16_A     29   43   97      8   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     S    17_A     S    17_A     29   43   97     12   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     D    18_A     D    18_A     29   43   97     10   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     K    19_A     K    19_A     29   43   97     10   26   33   42   53   67   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     L    20_A     L    20_A     29   43   97     10   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     F    21_A     F    21_A     29   43   97     10   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     R    22_A     R    22_A     29   43   97     10   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     A    23_A     A    23_A     29   43   97     12   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     D    24_A     D    24_A     29   43   97     12   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     I    25_A     I    25_A     29   43   97     12   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     S    26_A     S    26_A     29   43   97     12   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     E    27_A     E    27_A     29   43   97      8   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     D    28_A     D    28_A     29   43   97     12   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     Y    29_A     Y    29_A     29   43   97      5   18   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     K    30_A     K    30_A     29   43   97      5   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     T    31_A     T    31_A     29   43   97      5   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     R    32_A     R    32_A     29   43   97      6   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     G    33_A     G    33_A     29   43   97     12   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     R    34_A     R    34_A     29   43   97     10   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     K    35_A     K    35_A     26   43   97      2    5   14   33   49   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     L    36_A     L    36_A      6   43   97      3    5    9   33   48   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     L    37_A     L    37_A      5   43   97      3   13   20   28   44   66   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     R    38_A     R    38_A      5   43   97      4   13   26   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     F    39_A     F    39_A      6   43   97     12   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     N    40_A     N    40_A      6   43   97      3    5   17   37   50   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     G    41_A     G    41_A      6   43   97      1    8   28   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     P    42_A     P    42_A      6   43   97      3    8   33   42   51   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     V    43_A     V    43_A      6   43   97      5   17   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     P    44_A     P    44_A      6   43   97      3    6   21   37   48   62   77   83   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     P    45_A     P    45_A      5   43   97      3   12   23   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     P    46_A     P    46_A      5   43   97      3    4    6    9   17   47   68   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     G    47_A     G    47_A      5   43   97      0    4    8   18   30   52   76   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     G    48_A     G    48_A      5   43   97      5   11   31   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     S    49_A     S    49_A      7   13   97      3    6   17   26   45   65   76   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     G    50_A     G    50_A      7   10   97      3   11   24   38   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     G    51_A     G    51_A      7   25   97      5   20   32   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     G    52_A     G    52_A      7   25   97      4   15   25   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     E    53_A     E    53_A      7   26   97      4    6   19   36   49   66   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     W    54_A     W    54_A      7   26   97      4    6   23   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     E    55_A     E    55_A      7   26   97      4    5   19   40   51   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     I    56_A     I    56_A      6   26   97      3    5    8   14   50   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     I    57_A     I    57_A      6   26   97      6   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     D    58_A     D    58_A     10   26   97      4    5    9   16   30   49   66   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     I    59_A     I    59_A     20   26   97      4   13   20   39   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     G    60_A     G    60_A     20   26   97     11   18   20   29   45   65   76   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     P    61_A     P    61_A     20   26   97     12   18   20   37   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     F    62_A     F    62_A     20   26   97     11   18   31   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     T    63_A     T    63_A     20   26   97     11   18   24   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     Q    64_A     Q    64_A     20   26   97     12   18   20   37   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     N    65_A     N    65_A     20   26   97     12   18   32   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     L    66_A     L    66_A     20   26   97     12   22   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     G    67_A     G    67_A     20   26   97     12   18   21   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     K    68_A     K    68_A     20   26   97     12   18   20   34   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     F    69_A     F    69_A     20   26   97     12   18   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     A    70_A     A    70_A     20   26   97     12   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     V    71_A     V    71_A     20   26   97     12   18   20   39   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     D    72_A     D    72_A     20   26   97     12   18   20   30   53   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     E    73_A     E    73_A     20   26   97     12   18   27   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     E    74_A     E    74_A     20   26   97     12   18   27   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     N    75_A     N    75_A     20   26   97     12   18   20   29   45   66   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     K    76_A     K    76_A     20   26   97      5   18   19   23   41   53   74   83   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     I    77_A     I    77_A     20   26   97      5   18   25   40   53   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     G    78_A     G    78_A     20   26   97      4   16   27   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     Q    79_A     Q    79_A      3   25   97      3    3   14   31   38   48   65   80   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     Y    80_A     Y    80_A      3   25   97      3    3   14   31   38   48   65   72   88   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     G    81_A     G    81_A      3   25   97      3    3    7   16   37   54   71   83   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     R    82_A     R    82_A      3    7   97      3    3    3    5   15   29   42   59   71   86   91   94   95   95   96   96   96   96   97   97 
LCS_GDT     L    83_A     L    83_A      3   15   97      3    3    8   39   52   66   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     T    84_A     T    84_A      5   15   97      3    6   12   28   44   60   73   83   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     F    85_A     F    85_A      5   15   97      3    4   10   16   29   49   56   74   88   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     N    86_A     N    86_A      5   15   97      3    4   12   37   49   66   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     K    87_A     K    87_A      5   15   97      3    4    8   39   52   66   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     V    88_A     V    88_A      5   15   97      3    5   12   36   48   66   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     I    89_A     I    89_A      4   15   97      3   12   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     R    90_A     R    90_A      4   15   97     12   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     P    91_A     P    91_A      4   15   97      8   26   33   42   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     C    92_A     C    92_A      8   15   97      4    7    9   13   31   53   77   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     M    93_A     M    93_A      8   15   97      4    7   14   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     K    94_A     K    94_A      8   15   97      4    7   14   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     K    95_A     K    95_A      8   15   97      4   15   25   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     T    96_A     T    96_A      8   15   97      4    7   21   37   49   66   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     I    97_A     I    97_A      8   15   97      3   12   25   40   54   68   78   84   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     Y    98_A     Y    98_A      8   15   97      3    7   12   23   43   54   70   83   90   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     E    99_A     E    99_A      8   12   97      3    6   10   15   27   39   58   71   88   92   94   94   95   95   96   96   96   96   97   97 
LCS_GDT     N   100_A     N   100_A      3    8   97      3    3    4    5    8    8   21   28   32   35   37   65   67   92   94   96   96   96   97   97 
LCS_AVERAGE  LCS_A:  49.48  (  16.31   32.14  100.00 )

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     12     26     33     42     54     68     78     84     90     92     94     94     95     95     96     96     96     96     97     97 
GDT PERCENT_AT  12.37  26.80  34.02  43.30  55.67  70.10  80.41  86.60  92.78  94.85  96.91  96.91  97.94  97.94  98.97  98.97  98.97  98.97 100.00 100.00
GDT RMS_LOCAL    0.19   0.69   0.87   1.19   1.70   2.00   2.24   2.45   2.67   2.75   2.86   2.86   2.94   2.94   3.07   3.07   3.07   3.07   3.28   3.28
GDT RMS_ALL_AT  10.97   4.52   3.85   3.78   3.61   3.46   3.37   3.38   3.32   3.31   3.30   3.30   3.30   3.30   3.29   3.29   3.29   3.29   3.28   3.28

# Checking swapping
#   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    73_A      E    73_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:  Y    98_A      Y    98_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A     9.277     4    0.500   0.530    10.244    4.286    1.905
LGA    I     5_A      I     5_A     5.559     0    0.336   1.362     8.572   33.690   21.012
LGA    K     6_A      K     6_A     0.964     0    0.640   1.465     9.659   81.548   46.984
LGA    G     7_A      G     7_A     2.763     0    0.188   0.188     2.763   59.048   59.048
LGA    Y     8_A      Y     8_A     1.819     0    0.094   0.128     2.727   70.833   67.540
LGA    E     9_A      E     9_A     2.158     0    0.113   0.860     4.755   64.762   52.540
LGA    Y    10_A      Y    10_A     1.546     0    0.130   0.385     3.525   79.405   66.111
LGA    Q    11_A      Q    11_A     1.411     0    0.050   1.388     5.383   77.143   66.243
LGA    L    12_A      L    12_A     1.529     0    0.088   1.351     2.996   79.286   71.131
LGA    Y    13_A      Y    13_A     1.359     0    0.080   0.174     2.908   79.286   72.341
LGA    V    14_A      V    14_A     1.289     0    0.122   1.133     3.036   79.286   72.517
LGA    Y    15_A      Y    15_A     1.460     0    0.069   0.192     5.113   83.690   59.048
LGA    A    16_A      A    16_A     1.229     0    0.039   0.083     1.760   79.286   78.000
LGA    S    17_A      S    17_A     1.493     0    0.051   0.095     2.130   75.119   74.365
LGA    D    18_A      D    18_A     2.234     0    0.063   0.365     3.361   61.190   62.024
LGA    K    19_A      K    19_A     2.844     0    0.095   1.139     3.733   62.976   58.519
LGA    L    20_A      L    20_A     2.757     0    0.033   0.120     3.157   55.357   56.250
LGA    F    21_A      F    21_A     2.156     0    0.033   1.363     6.632   68.810   49.784
LGA    R    22_A      R    22_A     1.605     0    0.027   0.994     4.614   72.857   64.762
LGA    A    23_A      A    23_A     1.367     0    0.131   0.172     1.552   79.286   79.714
LGA    D    24_A      D    24_A     0.821     0    0.043   0.915     3.706   88.214   76.071
LGA    I    25_A      I    25_A     0.771     0    0.030   1.193     2.878   88.214   77.798
LGA    S    26_A      S    26_A     1.585     0    0.154   0.179     2.351   72.976   71.587
LGA    E    27_A      E    27_A     1.540     0    0.018   0.641     3.337   77.143   72.275
LGA    D    28_A      D    28_A     1.663     0    0.016   0.362     2.190   72.857   71.845
LGA    Y    29_A      Y    29_A     1.442     0    0.162   0.174     3.270   79.286   69.841
LGA    K    30_A      K    30_A     2.070     0    0.055   0.968     7.001   70.833   51.481
LGA    T    31_A      T    31_A     1.097     0    0.178   1.185     3.766   83.690   76.054
LGA    R    32_A      R    32_A     0.770     0    0.599   1.612     8.752   86.071   54.286
LGA    G    33_A      G    33_A     1.116     0    0.100   0.100     1.583   79.286   79.286
LGA    R    34_A      R    34_A     1.374     0    0.139   1.031     8.737   77.143   48.831
LGA    K    35_A      K    35_A     2.882     0    0.605   0.951     4.711   50.833   51.217
LGA    L    36_A      L    36_A     3.131     0    0.116   0.143     8.309   54.048   34.643
LGA    L    37_A      L    37_A     3.383     0    0.634   1.441     9.057   54.643   32.321
LGA    R    38_A      R    38_A     1.821     0    0.048   0.950     3.621   77.381   67.446
LGA    F    39_A      F    39_A     1.173     0    0.071   1.235     2.608   75.476   71.688
LGA    N    40_A      N    40_A     3.043     0    0.602   0.569     5.460   53.810   42.798
LGA    G    41_A      G    41_A     2.518     0    0.039   0.039     6.168   40.357   40.357
LGA    P    42_A      P    42_A     3.046     0    0.665   0.604     4.896   43.690   43.741
LGA    V    43_A      V    43_A     2.757     0    0.042   0.135     5.295   45.952   39.932
LGA    P    44_A      P    44_A     3.726     0    0.028   0.210     5.990   60.238   45.714
LGA    P    45_A      P    45_A     2.138     0    0.022   0.043     3.836   70.952   59.116
LGA    P    46_A      P    46_A     4.478     0    0.274   0.483     7.083   38.929   29.864
LGA    G    47_A      G    47_A     4.042     0    0.064   0.064     4.067   57.143   57.143
LGA    G    48_A      G    48_A     2.069     0    0.532   0.532     3.027   65.238   65.238
LGA    S    49_A      S    49_A     3.789     0    0.181   0.238     5.997   42.024   35.952
LGA    G    50_A      G    50_A     2.648     0    0.172   0.172     2.976   62.976   62.976
LGA    G    51_A      G    51_A     0.349     0    0.054   0.054     2.447   84.167   84.167
LGA    G    52_A      G    52_A     2.049     0    0.124   0.124     2.049   72.976   72.976
LGA    E    53_A      E    53_A     3.384     0    0.018   1.014    10.636   61.190   33.016
LGA    W    54_A      W    54_A     2.173     0    0.037   0.713     9.649   54.048   33.810
LGA    E    55_A      E    55_A     2.813     0    0.060   0.788     7.940   66.905   41.111
LGA    I    56_A      I    56_A     3.519     0    0.636   0.750     9.935   61.905   37.679
LGA    I    57_A      I    57_A     1.535     0    0.338   1.191     8.333   69.048   45.952
LGA    D    58_A      D    58_A     4.569     0    0.673   1.225    10.494   47.143   25.536
LGA    I    59_A      I    59_A     2.278     0    0.134   0.195     4.014   55.476   56.071
LGA    G    60_A      G    60_A     4.069     0    0.131   0.131     4.069   45.119   45.119
LGA    P    61_A      P    61_A     3.145     0    0.011   0.029     3.805   53.810   50.272
LGA    F    62_A      F    62_A     2.334     0    0.019   0.111     2.598   64.881   66.277
LGA    T    63_A      T    63_A     2.665     0    0.045   1.039     4.946   59.048   55.782
LGA    Q    64_A      Q    64_A     2.787     0    0.070   0.645     3.722   60.952   55.714
LGA    N    65_A      N    65_A     1.629     0    0.111   0.173     2.857   77.143   71.012
LGA    L    66_A      L    66_A     1.075     0    0.029   0.145     2.391   83.690   77.262
LGA    G    67_A      G    67_A     2.228     0    0.109   0.109     2.330   66.786   66.786
LGA    K    68_A      K    68_A     2.468     0    0.016   0.883     6.735   64.762   49.048
LGA    F    69_A      F    69_A     1.294     0    0.019   0.112     3.423   83.690   70.563
LGA    A    70_A      A    70_A     0.349     0    0.020   0.019     1.025   95.238   92.476
LGA    V    71_A      V    71_A     2.186     0    0.094   0.106     3.214   64.881   60.544
LGA    D    72_A      D    72_A     3.104     0    0.052   0.092     4.576   53.571   45.417
LGA    E    73_A      E    73_A     2.433     0    0.084   1.043     3.350   62.857   65.026
LGA    E    74_A      E    74_A     1.641     0    0.035   1.279     5.732   66.905   54.974
LGA    N    75_A      N    75_A     3.715     0    0.317   0.410     4.460   45.000   41.071
LGA    K    76_A      K    76_A     5.079     0    0.051   0.884     5.984   30.238   28.730
LGA    I    77_A      I    77_A     3.432     0    0.096   0.167     3.992   51.905   50.179
LGA    G    78_A      G    78_A     1.609     0    0.641   0.641     3.227   61.190   61.190
LGA    Q    79_A      Q    79_A     5.497     0    0.661   1.529    12.093   31.786   16.032
LGA    Y    80_A      Y    80_A     5.548     0    0.295   1.221    16.921   32.500   11.706
LGA    G    81_A      G    81_A     5.685     0    0.623   0.623     8.001   17.738   17.738
LGA    R    82_A      R    82_A     7.566     0    0.639   1.516    18.554   15.714    5.758
LGA    L    83_A      L    83_A     3.035     0    0.635   1.372     5.499   42.024   43.095
LGA    T    84_A      T    84_A     4.469     0    0.466   0.944     6.282   37.262   30.680
LGA    F    85_A      F    85_A     5.996     0    0.027   0.229     9.038   26.429   12.381
LGA    N    86_A      N    86_A     3.450     0    0.556   1.430     6.117   35.357   50.238
LGA    K    87_A      K    87_A     3.106     0    0.157   0.802    10.051   63.214   37.725
LGA    V    88_A      V    88_A     3.830     0    0.044   0.066     8.272   55.714   36.395
LGA    I    89_A      I    89_A     2.374     0    0.369   1.271     9.311   52.619   34.762
LGA    R    90_A      R    90_A     1.601     0    0.068   1.231    10.795   69.286   36.494
LGA    P    91_A      P    91_A     1.158     0    0.171   0.229     3.786   77.381   65.850
LGA    C    92_A      C    92_A     3.928     0    0.623   0.797     6.440   40.595   34.286
LGA    M    93_A      M    93_A     2.248     0    0.066   0.825     3.446   60.952   64.048
LGA    K    94_A      K    94_A     2.429     0    0.030   1.140     9.753   64.762   41.111
LGA    K    95_A      K    95_A     2.026     0    0.066   0.955     6.339   59.167   49.048
LGA    T    96_A      T    96_A     3.353     0    0.134   1.045     5.524   51.786   48.095
LGA    I    97_A      I    97_A     2.595     0    0.140   1.364     4.384   46.905   52.500
LGA    Y    98_A      Y    98_A     5.324     0    0.137   0.466     6.425   30.238   21.865
LGA    E    99_A      E    99_A     6.889     0    0.650   1.000    11.698    8.095    4.921
LGA    N   100_A      N   100_A    12.917     0    0.668   1.383    16.226    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):     3.284          3.259                  4.608           59.800   51.153

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     84    2.45    63.918    60.798     3.297

LGA_LOCAL      RMSD:   2.448  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.381  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:   3.284  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.570920 * X  +  -0.134809 * Y  +  -0.809862 * Z  +  33.699821
  Y_new =  -0.357791 * X  +   0.846975 * Y  +  -0.393215 * Z  +   4.793664
  Z_new =   0.738943 * X  +   0.514256 * Y  +   0.435321 * Z  +  71.428238 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.559815 -0.831500  0.868334   [DEG:  -32.0751  -47.6414   49.7518 ]
ZXZ: -1.118789  1.120401  0.962804   [DEG:  -64.1019   64.1943   55.1646 ]
 
# END of job
