
#######################################################
#                                                     #
#                        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  111 (  795),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  764),  selected  105 , 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:   105       7_B - 111_B       2.98     2.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    65      17_B - 81_B        2.00     3.16
  LONGEST_CONTINUOUS_SEGMENT:    65      18_B - 82_B        1.99     3.11
  LONGEST_CONTINUOUS_SEGMENT:    65      19_B - 83_B        1.96     3.10
  LONGEST_CONTINUOUS_SEGMENT:    65      20_B - 84_B        2.00     3.09
  LCS_AVERAGE:     46.65

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      28_B - 53_B        0.96     3.23
  LCS_AVERAGE:     14.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     7_B     E     7_B      6    9  105      3    5    5    7   14   21   34   50   60   74   77   94   99  104  105  105  105  105  105  105 
LCS_GDT     P     8_B     P     8_B      6    9  105      3    5    7   15   45   61   79   86   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     K     9_B     K     9_B      6    9  105      3    5    7   10   18   28   52   61   74   91   99  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    10_B     V    10_B      6    9  105      3    4    5   10   21   38   66   81   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    11_B     Y    11_B      6    9  105      3    5    5    7   16   39   52   78   88   96  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    12_B     A    12_B      6    9  105      3    5    5    7   21   26   43   64   83   97   99  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    13_B     P    13_B      6    9  105      3    4    5    7   20   31   54   74   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    14_B     V    14_B      6    9  105      3    4    5   10   21   37   62   75   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    15_B     T    15_B      5   57  105      3    4    5   27   52   63   74   85   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    16_B     T    16_B      5   57  105      3    4    5    7   18   37   66   77   84   96  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    17_B     G    17_B      8   65  105      3    6   10   27   43   62   71   79   91   93  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    18_B     A    18_B      8   65  105      3    6   10   26   41   58   69   79   84   93   99  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    19_B     D    19_B      8   65  105      3   21   45   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    20_B     G    20_B      8   65  105      3   16   50   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    21_B     K    21_B      8   65  105      5   36   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    22_B     L    22_B      8   65  105      6   36   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    23_B     S    23_B      8   65  105      3    6   45   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    24_B     L    24_B     16   65  105      3   23   50   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    25_B     S    25_B     16   65  105      3   20   47   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    26_B     V    26_B     16   65  105      3   20   43   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    27_B     G    27_B     19   65  105      3    6   28   47   70   76   84   88   91   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    28_B     G    28_B     26   65  105      3   25   50   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     26   65  105      3   24   47   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    30_B     K    30_B     26   65  105      4   27   50   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    31_B     K    31_B     26   65  105     14   30   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    32_B     T    32_B     26   65  105     18   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    33_B     F    33_B     26   65  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    34_B     T    34_B     26   65  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    35_B     K    35_B     26   65  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    36_B     V    36_B     26   65  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    37_B     D    37_B     26   65  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    38_B     A    38_B     26   65  105     15   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    39_B     A    39_B     26   65  105     14   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    40_B     T    40_B     26   65  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    41_B     K    41_B     26   65  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    42_B     A    42_B     26   65  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    43_B     P    43_B     26   65  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    44_B     L    44_B     26   65  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    45_B     A    45_B     26   65  105     12   29   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    46_B     G    46_B     26   65  105      4   26   50   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    47_B     A    47_B     26   65  105      7   28   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    48_B     V    48_B     26   65  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    49_B     F    49_B     26   65  105     16   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q    50_B     Q    50_B     26   65  105      8   37   52   65   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    51_B     V    51_B     26   65  105     16   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    52_B     V    52_B     26   65  105      6   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     E    53_B     E    53_B     26   65  105      8   29   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    54_B     K    54_B     24   65  105      6   16   46   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    55_B     D    55_B     16   65  105      6   16   34   62   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    56_B     G    56_B     16   65  105      5   16   26   62   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    57_B     D    57_B     16   65  105      5   16   43   62   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    58_B     I    58_B     16   65  105      4   22   49   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    59_B     T    59_B     16   65  105      6   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    60_B     L    60_B     16   65  105      6   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    61_B     Y    61_B     16   65  105      4   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     E    62_B     E    62_B     16   65  105     10   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    63_B     L    63_B     16   65  105     15   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    64_B     S    64_B     16   65  105      5   29   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    65_B     S    65_B     13   65  105      5   28   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    66_B     P    66_B     13   65  105      5   26   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    67_B     A    67_B     13   65  105      6   26   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    68_B     G    68_B     13   65  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    69_B     Y    69_B     13   65  105     14   31   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    70_B     V    70_B     13   65  105      9   27   48   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    71_B     P    71_B      6   65  105      3    4    9   26   74   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    72_B     V    72_B      5   65  105      3    4   34   55   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    73_B     T    73_B      5   65  105      3   20   38   62   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    74_B     N    74_B      5   65  105      4    5   10   25   47   69   80   88   91   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    75_B     K    75_B      5   65  105      4    6   29   46   67   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    76_B     P    76_B      6   65  105      8   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    77_B     I    77_B      6   65  105      6   26   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    78_B     Y    78_B      6   65  105      6   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    79_B     N    79_B      6   65  105      6   36   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    80_B     I    80_B      6   65  105     11   30   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    81_B     S    81_B      6   65  105      3   28   49   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    82_B     T    82_B      7   65  105      4    5    7   16   44   74   83   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    83_B     G    83_B      7   65  105      4    6    7    7    9   12   46   80   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     E    84_B     E    84_B      7   65  105      5    6    7   11   48   79   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    85_B     A    85_B      7    8  105      5    6    7   10   16   57   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    86_B     F    86_B      7    8  105      5    7   18   26   50   64   83   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    87_B     D    87_B      7    8  105      5    8   17   50   72   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    88_B     S    88_B      7    8  105      5   10   19   24   48   64   79   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    89_B     A    89_B      4   21  105      3    4    5   20   26   67   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    90_B     A    90_B      4   22  105      3    4    5   14   48   68   73   79   86   92  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    91_B     A    91_B      3   22  105      3    3    5   23   42   53   71   79   86   92  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    92_B     S    92_B     17   22  105      8   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    93_B     V    93_B     17   22  105     18   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    94_B     V    94_B     17   22  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    95_B     K    95_B     17   22  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     E    96_B     E    96_B     17   22  105     16   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    97_B     D    97_B     17   22  105      5   35   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    98_B     G    98_B     17   22  105     10   27   46   63   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q    99_B     Q    99_B     17   22  105     17   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y   100_B     Y   100_B     17   22  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y   101_B     Y   101_B     17   22  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     I   102_B     I   102_B     17   22  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     T   103_B     T   103_B     17   22  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     N   104_B     N   104_B     17   22  105     19   37   52   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     T   105_B     T   105_B     17   22  105      7   27   42   66   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   106_B     A   106_B     17   22  105      7   28   49   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   107_B     A   107_B     17   22  105      9   28   51   67   75   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     L   108_B     L   108_B     17   22  105      3    6   32   55   72   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   109_B     A   109_B      5   22  105      5   24   39   56   73   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   110_B     A   110_B      5   22  105      3   10   36   55   71   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   111_B     A   111_B      4   22  105      3   12   36   55   73   81   84   88   94   97  100  104  104  104  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  53.55  (  14.00   46.65  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     19     37     52     67     75     81     84     88     94     97    100    104    104    104    105    105    105    105    105    105 
GDT PERCENT_AT  18.10  35.24  49.52  63.81  71.43  77.14  80.00  83.81  89.52  92.38  95.24  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.68   0.93   1.29   1.49   1.71   1.85   2.00   2.36   2.49   2.63   2.85   2.85   2.85   2.98   2.98   2.98   2.98   2.98   2.98
GDT RMS_ALL_AT   3.23   3.15   3.14   3.15   3.11   3.05   3.05   3.05   3.01   3.01   3.00   2.99   2.99   2.99   2.98   2.98   2.98   2.98   2.98   2.98

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  D    37_B      D    37_B
#   possible swapping detected:  E    53_B      E    53_B
#   possible swapping detected:  Y    61_B      Y    61_B
#   possible swapping detected:  Y    78_B      Y    78_B
#   possible swapping detected:  E    84_B      E    84_B
#   possible swapping detected:  E    96_B      E    96_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     9.816     0    0.062   1.219    16.173    1.667    0.741
LGA    P     8_B      P     8_B     5.025     0    0.119   0.124     6.332   20.476   26.939
LGA    K     9_B      K     9_B     7.245     0    0.094   1.159    16.026   16.548    7.513
LGA    V    10_B      V    10_B     5.445     0    0.096   1.113     8.095   17.619   16.871
LGA    Y    11_B      Y    11_B     6.489     0    0.033   1.228    16.230   22.738    8.175
LGA    A    12_B      A    12_B     6.183     0    0.264   0.308     7.274   16.190   14.952
LGA    P    13_B      P    13_B     5.907     0    0.060   0.332     6.381   21.429   20.816
LGA    V    14_B      V    14_B     5.679     0    0.246   1.132     8.828   20.595   16.531
LGA    T    15_B      T    15_B     5.359     0    0.049   0.066     8.355   28.810   20.476
LGA    T    16_B      T    16_B     5.606     0    0.608   0.528     9.140   18.571   12.653
LGA    G    17_B      G    17_B     5.996     0    0.124   0.124     6.874   19.524   19.524
LGA    A    18_B      A    18_B     6.444     0    0.267   0.260     7.390   20.476   18.381
LGA    D    19_B      D    19_B     2.505     0    0.120   0.107     4.459   63.690   52.798
LGA    G    20_B      G    20_B     1.867     0    0.348   0.348     2.120   72.976   72.976
LGA    K    21_B      K    21_B     0.988     0    0.110   0.771     1.713   83.690   82.540
LGA    L    22_B      L    22_B     0.703     0    0.058   0.915     3.517   90.476   80.238
LGA    S    23_B      S    23_B     2.609     0    0.269   0.683     5.802   66.905   55.397
LGA    L    24_B      L    24_B     1.742     0    0.056   0.079     2.670   66.786   67.857
LGA    S    25_B      S    25_B     2.566     0    0.298   0.728     5.495   62.857   54.603
LGA    V    26_B      V    26_B     2.569     0    0.053   0.097     3.048   53.571   61.837
LGA    G    27_B      G    27_B     4.263     0    0.610   0.610     6.497   33.690   33.690
LGA    G    28_B      G    28_B     1.833     0    0.033   0.033     2.028   72.976   72.976
LGA    Y    29_B      Y    29_B     1.569     0    0.525   0.831     3.756   75.000   62.659
LGA    K    30_B      K    30_B     2.027     0    0.028   0.884     6.330   66.786   50.106
LGA    K    31_B      K    31_B     1.161     0    0.072   0.827     2.042   85.952   80.741
LGA    T    32_B      T    32_B     0.404     0    0.043   1.095     2.484   95.238   87.211
LGA    F    33_B      F    33_B     0.570     0    0.097   0.194     1.161   92.857   88.874
LGA    T    34_B      T    34_B     0.682     0    0.061   0.149     1.490   90.476   87.891
LGA    K    35_B      K    35_B     0.478     0    0.082   0.665     2.803   97.619   83.386
LGA    V    36_B      V    36_B     0.660     0    0.041   0.083     0.969   90.476   90.476
LGA    D    37_B      D    37_B     0.783     0    0.137   0.543     1.394   85.952   87.083
LGA    A    38_B      A    38_B     1.040     0    0.399   0.391     3.271   73.690   77.048
LGA    A    39_B      A    39_B     1.040     0    0.090   0.095     1.650   81.548   81.524
LGA    T    40_B      T    40_B     0.678     0    0.020   0.061     1.115   90.595   90.544
LGA    K    41_B      K    41_B     0.806     0    0.110   1.180     6.143   88.214   66.931
LGA    A    42_B      A    42_B     0.500     0    0.012   0.017     0.530   90.476   92.381
LGA    P    43_B      P    43_B     0.498     0    0.025   0.047     0.915   97.619   94.558
LGA    L    44_B      L    44_B     0.206     0    0.074   0.091     0.784   95.238   96.429
LGA    A    45_B      A    45_B     1.220     0    0.027   0.039     2.144   79.405   76.476
LGA    G    46_B      G    46_B     2.430     0    0.030   0.030     2.635   64.881   64.881
LGA    A    47_B      A    47_B     1.807     0    0.116   0.137     1.807   72.857   72.857
LGA    V    48_B      V    48_B     1.154     0    0.036   0.070     1.836   79.286   77.755
LGA    F    49_B      F    49_B     1.413     0    0.024   0.090     1.589   81.429   79.870
LGA    Q    50_B      Q    50_B     1.937     0    0.036   0.261     2.819   75.000   67.619
LGA    V    51_B      V    51_B     1.671     0    0.012   1.199     4.074   72.857   66.599
LGA    V    52_B      V    52_B     1.278     0    0.098   1.108     3.351   83.690   77.007
LGA    E    53_B      E    53_B     1.021     0    0.047   0.958     2.435   88.214   81.640
LGA    K    54_B      K    54_B     1.747     0    0.029   1.189     7.859   70.952   52.275
LGA    D    55_B      D    55_B     2.338     0    0.081   0.222     3.563   60.952   56.429
LGA    G    56_B      G    56_B     2.674     0    0.293   0.293     4.376   52.262   52.262
LGA    D    57_B      D    57_B     2.182     0    0.199   0.878     2.664   68.810   64.881
LGA    I    58_B      I    58_B     1.958     0    0.039   0.179     2.782   68.810   63.929
LGA    T    59_B      T    59_B     1.735     0    0.056   1.083     3.826   72.857   69.864
LGA    L    60_B      L    60_B     1.970     0    0.069   0.260     2.917   72.857   68.869
LGA    Y    61_B      Y    61_B     2.007     0    0.018   0.107     2.111   64.762   69.484
LGA    E    62_B      E    62_B     1.951     0    0.050   0.201     2.500   70.833   66.614
LGA    L    63_B      L    63_B     1.942     0    0.057   1.072     3.231   68.810   67.083
LGA    S    64_B      S    64_B     2.361     0    0.120   0.149     2.713   60.952   62.222
LGA    S    65_B      S    65_B     2.440     0    0.022   0.040     2.812   64.762   62.222
LGA    P    66_B      P    66_B     2.355     0    0.049   0.351     2.438   66.786   65.918
LGA    A    67_B      A    67_B     1.910     0    0.017   0.027     2.146   70.833   69.619
LGA    G    68_B      G    68_B     0.888     0    0.085   0.085     1.248   85.952   85.952
LGA    Y    69_B      Y    69_B     1.432     0    0.090   0.120     2.001   75.119   80.079
LGA    V    70_B      V    70_B     2.242     0    0.071   0.102     3.587   75.238   66.599
LGA    P    71_B      P    71_B     2.981     0    0.015   0.348     4.360   65.119   54.014
LGA    V    72_B      V    72_B     2.111     0    0.147   0.275     4.071   54.048   57.823
LGA    T    73_B      T    73_B     1.881     0    0.622   0.516     2.296   72.857   74.218
LGA    N    74_B      N    74_B     4.746     0    0.324   0.327     7.920   38.810   25.357
LGA    K    75_B      K    75_B     3.010     0    0.199   0.986     5.509   53.810   41.058
LGA    P    76_B      P    76_B     1.039     0    0.097   0.122     1.382   81.429   81.429
LGA    I    77_B      I    77_B     2.028     0    0.047   0.061     2.262   66.786   67.798
LGA    Y    78_B      Y    78_B     1.844     0    0.080   1.078     9.235   72.857   44.603
LGA    N    79_B      N    79_B     1.685     0    0.039   0.902     5.144   75.000   59.226
LGA    I    80_B      I    80_B     1.066     0    0.615   0.917     2.943   75.357   76.310
LGA    S    81_B      S    81_B     1.277     0    0.618   0.748     2.967   75.119   71.746
LGA    T    82_B      T    82_B     4.048     0    0.153   1.170     8.325   48.571   31.905
LGA    G    83_B      G    83_B     4.957     0    0.140   0.140     5.171   33.095   33.095
LGA    E    84_B      E    84_B     3.341     0    0.089   1.090     5.261   45.119   40.423
LGA    A    85_B      A    85_B     4.277     0    0.056   0.070     5.537   46.905   41.810
LGA    F    86_B      F    86_B     4.369     0    0.038   0.461     8.690   40.238   19.784
LGA    D    87_B      D    87_B     2.824     0    0.565   1.207     3.647   51.786   52.798
LGA    S    88_B      S    88_B     5.118     0    0.088   0.152     8.241   40.833   29.206
LGA    A    89_B      A    89_B     3.922     0    0.164   0.165     6.441   41.310   36.476
LGA    A    90_B      A    90_B     5.787     0    0.080   0.084     8.238   23.333   21.333
LGA    A    91_B      A    91_B     5.456     0    0.668   0.602     7.103   33.095   28.476
LGA    S    92_B      S    92_B     0.897     0    0.388   0.337     2.409   81.786   76.111
LGA    V    93_B      V    93_B     1.034     0    0.058   0.094     1.922   85.952   80.340
LGA    V    94_B      V    94_B     0.889     0    0.046   0.069     1.103   92.857   90.544
LGA    K    95_B      K    95_B     1.221     0    0.037   0.187     1.234   81.429   85.450
LGA    E    96_B      E    96_B     1.369     0    0.437   0.850     3.563   69.762   63.069
LGA    D    97_B      D    97_B     1.524     0    0.522   0.572     3.666   65.476   70.238
LGA    G    98_B      G    98_B     1.791     0    0.188   0.188     2.133   70.833   70.833
LGA    Q    99_B      Q    99_B     1.131     0    0.076   0.955     4.422   81.429   66.032
LGA    Y   100_B      Y   100_B     0.848     0    0.025   0.084     1.741   88.214   80.833
LGA    Y   101_B      Y   101_B     0.602     0    0.017   0.068     0.918   90.476   90.476
LGA    I   102_B      I   102_B     0.551     0    0.027   0.121     1.143   90.476   89.345
LGA    T   103_B      T   103_B     0.459     0    0.031   0.084     0.577   97.619   95.918
LGA    N   104_B      N   104_B     0.839     1    0.080   0.635     2.021   83.810   70.417
LGA    T   105_B      T   105_B     2.173     0    0.062   0.087     3.442   70.833   62.925
LGA    A   106_B      A   106_B     1.683     0    0.039   0.050     2.325   70.833   71.238
LGA    A   107_B      A   107_B     1.713     0    0.069   0.093     2.202   75.000   72.952
LGA    L   108_B      L   108_B     2.856     0    0.189   1.449     8.092   69.048   47.679
LGA    A   109_B      A   109_B     2.592     0    0.394   0.454     3.680   60.952   57.429
LGA    A   110_B      A   110_B     3.143     0    0.032   0.032     3.260   50.000   50.000
LGA    A   111_B      A   111_B     2.968     0    0.613   0.593     4.163   69.762   63.238

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     764    764  100.00               105
SUMMARY(RMSD_GDC):     2.985          2.955                  3.728           65.154   60.660

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0     88    2.00    70.714    68.855     4.191

LGA_LOCAL      RMSD:   2.000  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.051  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.985  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.259918 * X  +  -0.785307 * Y  +   0.561904 * Z  +  44.595524
  Y_new =   0.612374 * X  +  -0.315873 * Y  +  -0.724722 * Z  + -69.160042
  Z_new =   0.746620 * X  +   0.532464 * Y  +   0.398800 * Z  +  -0.619126 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.169397 -0.842966  0.927954   [DEG:   67.0015  -48.2984   53.1678 ]
ZXZ:  0.659520  1.160589  0.951289   [DEG:   37.7877   66.4968   54.5048 ]
 
# END of job
