
#######################################################
#                                                     #
#                        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       2.67     2.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       7_B - 88_B        1.94     2.70
  LONGEST_CONTINUOUS_SEGMENT:    82       8_B - 89_B        1.98     2.73
  LCS_AVERAGE:     64.99

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42      11_B - 52_B        0.97     2.72
  LCS_AVERAGE:     23.34

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      7   82  105      6    6   17   43   58   77   84   90   97   98  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     P     8_B     P     8_B      7   82  105      6   10   31   58   79   84   91   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     K     9_B     K     9_B     14   82  105      6   26   61   79   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     V    10_B     V    10_B     14   82  105      6   16   53   79   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     Y    11_B     Y    11_B     42   82  105     16   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A    12_B     A    12_B     42   82  105     12   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     P    13_B     P    13_B     42   82  105     15   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     V    14_B     V    14_B     42   82  105     13   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     T    15_B     T    15_B     42   82  105     13   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     T    16_B     T    16_B     42   82  105     13   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     G    17_B     G    17_B     42   82  105     13   36   66   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A    18_B     A    18_B     42   82  105     10   52   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     D    19_B     D    19_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     G    20_B     G    20_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     K    21_B     K    21_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     L    22_B     L    22_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     S    23_B     S    23_B     42   82  105     11   29   67   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     L    24_B     L    24_B     42   82  105     22   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     S    25_B     S    25_B     42   82  105      3   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     V    26_B     V    26_B     42   82  105     10   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     G    27_B     G    27_B     42   82  105      5   26   63   79   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     G    28_B     G    28_B     42   82  105      3   38   67   79   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     42   82  105     19   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     K    30_B     K    30_B     42   82  105     25   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     K    31_B     K    31_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     T    32_B     T    32_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     F    33_B     F    33_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     T    34_B     T    34_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     K    35_B     K    35_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     V    36_B     V    36_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     D    37_B     D    37_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A    38_B     A    38_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A    39_B     A    39_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     T    40_B     T    40_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     K    41_B     K    41_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A    42_B     A    42_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     P    43_B     P    43_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     L    44_B     L    44_B     42   82  105     26   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A    45_B     A    45_B     42   82  105     13   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     G    46_B     G    46_B     42   82  105     13   48   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A    47_B     A    47_B     42   82  105     26   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     V    48_B     V    48_B     42   82  105     26   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     F    49_B     F    49_B     42   82  105     17   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     Q    50_B     Q    50_B     42   82  105      7   47   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     V    51_B     V    51_B     42   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     V    52_B     V    52_B     42   82  105     25   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     E    53_B     E    53_B     36   82  105     16   43   69   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     K    54_B     K    54_B     27   82  105      6   31   65   79   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     D    55_B     D    55_B     27   82  105      6   18   50   75   84   88   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     G    56_B     G    56_B     16   82  105      6   18   47   75   84   88   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     D    57_B     D    57_B     16   82  105     16   40   67   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     I    58_B     I    58_B     16   82  105     11   49   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     T    59_B     T    59_B     16   82  105     22   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     L    60_B     L    60_B     16   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     Y    61_B     Y    61_B     16   82  105     23   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     E    62_B     E    62_B     16   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     L    63_B     L    63_B     16   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     S    64_B     S    64_B     16   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     S    65_B     S    65_B     15   82  105     19   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     P    66_B     P    66_B     15   82  105      6   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A    67_B     A    67_B     15   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     G    68_B     G    68_B     14   82  105     26   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     Y    69_B     Y    69_B     14   82  105      6   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     V    70_B     V    70_B     14   82  105      6   11   67   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     P    71_B     P    71_B      5   82  105      3    4   19   44   60   85   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     V    72_B     V    72_B      5   82  105      4    4   14   59   80   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     T    73_B     T    73_B      5   82  105      4    4   32   62   82   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     N    74_B     N    74_B      8   82  105      4    4   15   50   72   86   91   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     K    75_B     K    75_B      9   82  105      6   10   17   50   80   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     P    76_B     P    76_B     11   82  105     24   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     I    77_B     I    77_B     11   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     Y    78_B     Y    78_B     11   82  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     N    79_B     N    79_B     11   82  105     17   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     I    80_B     I    80_B     11   82  105     12   53   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     S    81_B     S    81_B     11   82  105     12   50   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     T    82_B     T    82_B     11   82  105     19   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     G    83_B     G    83_B     11   82  105     11   47   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     E    84_B     E    84_B     11   82  105     12   49   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A    85_B     A    85_B     11   82  105     14   51   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     F    86_B     F    86_B     11   82  105      4   15   64   79   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     D    87_B     D    87_B      6   82  105      3    7   13   32   64   78   89   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     S    88_B     S    88_B      6   82  105      3    8   13   51   71   80   89   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A    89_B     A    89_B      3   82  105      3    3    4    4    5   38   59   77   87   89   95   98  102  104  104  104  104  105  105  105 
LCS_GDT     A    90_B     A    90_B      3    5  105      3    3    4    4    4    5   18   22   45   54   62   86   92  101  101  102  104  105  105  105 
LCS_GDT     A    91_B     A    91_B      3   18  105      3    3    4    5   25   36   69   82   91   96   99   99  102  104  104  104  104  105  105  105 
LCS_GDT     S    92_B     S    92_B     16   18  105     22   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     V    93_B     V    93_B     16   18  105     23   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     V    94_B     V    94_B     16   18  105     22   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     K    95_B     K    95_B     16   18  105     16   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     E    96_B     E    96_B     16   18  105     19   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     D    97_B     D    97_B     16   18  105     16   44   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     G    98_B     G    98_B     16   18  105     20   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     Q    99_B     Q    99_B     16   18  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     Y   100_B     Y   100_B     16   18  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     Y   101_B     Y   101_B     16   18  105     27   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     I   102_B     I   102_B     16   18  105     26   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     T   103_B     T   103_B     16   18  105     24   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     N   104_B     N   104_B     16   18  105     22   55   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     T   105_B     T   105_B     16   18  105     17   53   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A   106_B     A   106_B     16   18  105     17   45   71   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A   107_B     A   107_B     16   18  105     10   32   66   81   84   90   93   95   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     L   108_B     L   108_B      4   18  105      3    4    5   15   67   78   93   95   96   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A   109_B     A   109_B      4   18  105      3    3   10   13   24   38   47   72   81   89  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A   110_B     A   110_B      4    6  105      3    3    5   29   38   69   87   92   97   99  101  102  102  104  104  104  104  105  105  105 
LCS_GDT     A   111_B     A   111_B      4    6  105      3    3    5    8   20   26   61   72   81   97  101  102  102  104  104  104  104  105  105  105 
LCS_AVERAGE  LCS_A:  62.78  (  23.34   64.99  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     27     55     71     81     84     90     93     95     97     99    101    102    102    104    104    104    104    105    105    105 
GDT PERCENT_AT  25.71  52.38  67.62  77.14  80.00  85.71  88.57  90.48  92.38  94.29  96.19  97.14  97.14  99.05  99.05  99.05  99.05 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.61   0.82   1.01   1.16   1.38   1.51   1.65   1.76   1.92   2.13   2.25   2.25   2.46   2.46   2.46   2.46   2.67   2.67   2.67
GDT RMS_ALL_AT   2.76   2.77   2.75   2.79   2.85   2.72   2.75   2.74   2.72   2.70   2.68   2.69   2.69   2.67   2.67   2.67   2.67   2.67   2.67   2.67

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  F    33_B      F    33_B
#   possible swapping detected:  F    49_B      F    49_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  Y    69_B      Y    69_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
#   possible swapping detected:  Y   100_B      Y   100_B
#   possible swapping detected:  Y   101_B      Y   101_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     6.967     0    0.063   1.119    11.347   17.738    9.312
LGA    P     8_B      P     8_B     4.710     0    0.077   0.092     6.638   31.786   26.259
LGA    K     9_B      K     9_B     3.344     0    0.042   0.721     3.573   53.810   58.201
LGA    V    10_B      V    10_B     3.181     0    0.009   0.059     4.993   51.786   45.578
LGA    Y    11_B      Y    11_B     1.320     0    0.089   0.259     1.840   79.286   79.325
LGA    A    12_B      A    12_B     1.326     0    0.018   0.022     1.418   81.429   81.429
LGA    P    13_B      P    13_B     0.977     0    0.054   0.363     1.401   88.214   86.599
LGA    V    14_B      V    14_B     0.904     0    0.042   1.006     2.933   90.476   83.129
LGA    T    15_B      T    15_B     1.029     0    0.069   0.102     1.817   81.548   82.789
LGA    T    16_B      T    16_B     0.919     0    0.025   0.074     1.375   85.952   87.891
LGA    G    17_B      G    17_B     1.915     0    0.078   0.078     1.915   77.143   77.143
LGA    A    18_B      A    18_B     1.233     0    0.020   0.023     1.587   85.952   83.333
LGA    D    19_B      D    19_B     0.532     0    0.138   0.203     2.356   97.619   85.298
LGA    G    20_B      G    20_B     0.374     0    0.013   0.013     0.504   97.619   97.619
LGA    K    21_B      K    21_B     0.311     0    0.071   0.941     2.497   97.619   89.947
LGA    L    22_B      L    22_B     0.323     0    0.122   0.904     4.027   92.976   81.726
LGA    S    23_B      S    23_B     1.812     0    0.216   0.206     3.672   79.286   68.413
LGA    L    24_B      L    24_B     0.816     0    0.039   0.076     1.440   90.476   88.214
LGA    S    25_B      S    25_B     0.853     0    0.223   0.702     2.819   83.810   80.476
LGA    V    26_B      V    26_B     1.308     0    0.127   1.110     4.401   77.143   71.565
LGA    G    27_B      G    27_B     3.001     0    0.637   0.637     5.021   47.738   47.738
LGA    G    28_B      G    28_B     2.559     0    0.069   0.069     2.559   62.857   62.857
LGA    Y    29_B      Y    29_B     1.401     0    0.492   0.805     3.375   69.286   71.151
LGA    K    30_B      K    30_B     0.509     0    0.019   0.285     3.716   97.619   81.693
LGA    K    31_B      K    31_B     0.474     0    0.069   0.408     1.077  100.000   92.698
LGA    T    32_B      T    32_B     0.505     0    0.056   1.047     3.045   95.238   82.653
LGA    F    33_B      F    33_B     0.236     0    0.025   0.171     1.410  100.000   91.515
LGA    T    34_B      T    34_B     0.464     0    0.033   0.061     0.593   97.619   97.279
LGA    K    35_B      K    35_B     0.378     0    0.045   0.535     1.478   97.619   93.757
LGA    V    36_B      V    36_B     0.356     0    0.047   0.050     0.547  100.000   98.639
LGA    D    37_B      D    37_B     0.309     0    0.025   0.513     1.353  100.000   95.357
LGA    A    38_B      A    38_B     0.381     0    0.061   0.067     0.457  100.000  100.000
LGA    A    39_B      A    39_B     0.489     0    0.101   0.099     0.963   95.238   96.190
LGA    T    40_B      T    40_B     0.245     0    0.011   0.091     0.372  100.000  100.000
LGA    K    41_B      K    41_B     0.042     0    0.121   1.432     6.070   97.619   79.524
LGA    A    42_B      A    42_B     0.472     0    0.011   0.023     0.626  100.000   98.095
LGA    P    43_B      P    43_B     0.301     0    0.009   0.340     1.278  100.000   95.986
LGA    L    44_B      L    44_B     0.397     0    0.195   0.246     0.820   97.619   96.429
LGA    A    45_B      A    45_B     1.079     0    0.045   0.058     1.246   83.690   83.238
LGA    G    46_B      G    46_B     1.438     0    0.079   0.079     1.438   81.429   81.429
LGA    A    47_B      A    47_B     0.599     0    0.061   0.071     0.789   90.476   92.381
LGA    V    48_B      V    48_B     0.475     0    0.037   0.075     0.991   97.619   94.558
LGA    F    49_B      F    49_B     0.678     0    0.105   0.123     0.823   90.476   90.476
LGA    Q    50_B      Q    50_B     1.598     0    0.057   1.093     2.748   86.190   80.000
LGA    V    51_B      V    51_B     0.873     0    0.008   1.236     3.675   88.214   78.639
LGA    V    52_B      V    52_B     0.336     0    0.145   1.068     3.262   95.238   84.830
LGA    E    53_B      E    53_B     1.860     0    0.063   0.916     3.820   70.952   63.439
LGA    K    54_B      K    54_B     2.691     0    0.015   1.098     8.361   55.476   41.270
LGA    D    55_B      D    55_B     3.810     0    0.055   0.205     4.219   43.452   42.619
LGA    G    56_B      G    56_B     3.722     0    0.251   0.251     4.422   41.786   41.786
LGA    D    57_B      D    57_B     2.205     0    0.058   0.089     2.562   66.905   68.869
LGA    I    58_B      I    58_B     1.331     0    0.020   0.596     3.449   77.143   72.143
LGA    T    59_B      T    59_B     0.688     0    0.051   1.050     2.410   90.476   83.129
LGA    L    60_B      L    60_B     0.770     0    0.057   0.245     1.321   90.476   88.214
LGA    Y    61_B      Y    61_B     0.727     0    0.065   0.208     1.221   88.214   91.349
LGA    E    62_B      E    62_B     0.691     0    0.051   0.408     1.695   90.476   88.519
LGA    L    63_B      L    63_B     0.619     0    0.062   1.087     2.696   90.476   84.107
LGA    S    64_B      S    64_B     0.688     0    0.024   0.601     2.148   90.476   86.190
LGA    S    65_B      S    65_B     1.081     0    0.017   0.718     2.346   85.952   81.667
LGA    P    66_B      P    66_B     1.237     0    0.010   0.057     1.757   85.952   80.340
LGA    A    67_B      A    67_B     0.759     0    0.023   0.027     0.973   95.238   94.286
LGA    G    68_B      G    68_B     0.424     0    0.083   0.083     0.994   95.238   95.238
LGA    Y    69_B      Y    69_B     1.050     0    0.090   0.172     1.768   81.548   88.294
LGA    V    70_B      V    70_B     2.146     0    0.031   0.060     3.529   72.976   65.306
LGA    P    71_B      P    71_B     3.659     0    0.026   0.342     5.178   55.833   44.694
LGA    V    72_B      V    72_B     3.437     0    0.128   0.278     4.413   43.452   43.469
LGA    T    73_B      T    73_B     3.533     0    0.074   1.014     4.513   45.000   44.558
LGA    N    74_B      N    74_B     4.395     0    0.192   0.435     6.409   41.786   31.131
LGA    K    75_B      K    75_B     3.243     0    0.119   0.976     7.045   55.714   37.778
LGA    P    76_B      P    76_B     0.618     0    0.091   0.120     2.284   88.452   80.680
LGA    I    77_B      I    77_B     0.654     0    0.124   1.015     2.096   92.857   81.905
LGA    Y    78_B      Y    78_B     0.655     0    0.052   0.178     1.197   90.476   89.762
LGA    N    79_B      N    79_B     0.692     0    0.052   0.276     1.470   88.214   87.083
LGA    I    80_B      I    80_B     1.090     0    0.015   0.596     1.898   83.690   81.488
LGA    S    81_B      S    81_B     1.271     0    0.036   0.041     1.844   81.429   80.000
LGA    T    82_B      T    82_B     0.902     0    0.040   0.046     1.365   85.952   89.252
LGA    G    83_B      G    83_B     1.680     0    0.150   0.150     2.415   72.976   72.976
LGA    E    84_B      E    84_B     1.782     0    0.055   0.099     4.415   77.143   61.587
LGA    A    85_B      A    85_B     1.360     0    0.050   0.070     1.991   77.143   78.000
LGA    F    86_B      F    86_B     2.443     0    0.098   0.206     3.271   59.405   65.931
LGA    D    87_B      D    87_B     4.688     0    0.631   1.262     8.956   40.476   24.524
LGA    S    88_B      S    88_B     4.701     0    0.657   0.628     6.613   31.548   27.619
LGA    A    89_B      A    89_B     7.619     0    0.189   0.201     9.591    6.667    5.429
LGA    A    90_B      A    90_B    10.679     0    0.038   0.053    12.609    0.714    0.571
LGA    A    91_B      A    91_B     6.567     0    0.669   0.604     7.862   21.667   18.762
LGA    S    92_B      S    92_B     1.119     0    0.695   0.885     3.331   79.524   72.143
LGA    V    93_B      V    93_B     0.904     0    0.012   0.048     1.615   83.690   81.497
LGA    V    94_B      V    94_B     1.154     0    0.014   0.042     1.671   85.952   82.789
LGA    K    95_B      K    95_B     1.233     0    0.020   0.196     1.495   81.429   84.444
LGA    E    96_B      E    96_B     1.315     0    0.439   0.469     2.583   75.357   70.423
LGA    D    97_B      D    97_B     1.782     0    0.144   0.845     2.993   70.833   66.905
LGA    G    98_B      G    98_B     1.141     0    0.018   0.018     1.370   85.952   85.952
LGA    Q    99_B      Q    99_B     0.531     0    0.061   1.098     3.593   92.857   80.476
LGA    Y   100_B      Y   100_B     0.346     0    0.067   0.058     0.960  100.000   93.651
LGA    Y   101_B      Y   101_B     0.261     0    0.067   0.082     0.753  100.000   93.651
LGA    I   102_B      I   102_B     0.520     0    0.013   0.068     0.911   95.238   95.238
LGA    T   103_B      T   103_B     0.568     0    0.152   1.018     2.683   88.214   83.129
LGA    N   104_B      N   104_B     0.826     1    0.043   0.532     1.767   88.214   75.833
LGA    T   105_B      T   105_B     1.379     0    0.029   0.126     1.636   79.286   77.755
LGA    A   106_B      A   106_B     1.581     0    0.084   0.121     2.608   69.048   69.810
LGA    A   107_B      A   107_B     2.171     0    0.484   0.484     4.607   54.762   61.905
LGA    L   108_B      L   108_B     5.001     0    0.115   1.031     8.342   31.667   22.619
LGA    A   109_B      A   109_B     8.051     0    0.174   0.236    10.294   12.381    9.905
LGA    A   110_B      A   110_B     6.864     0    0.621   0.568     9.036    7.381    7.333
LGA    A   111_B      A   111_B     9.283     0    0.142   0.143     9.761    2.024    1.905

# 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):     2.666          2.620                  2.824           75.724   71.930

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0     95    1.65    79.762    79.092     5.421

LGA_LOCAL      RMSD:   1.652  Number of atoms:   95  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.739  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.666  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.756647 * X  +   0.369025 * Y  +  -0.539728 * Z  +  16.713350
  Y_new =   0.314413 * X  +  -0.518415 * Y  +  -0.795230 * Z  + -54.866352
  Z_new =  -0.573263 * X  +  -0.771405 * Y  +   0.276231 * Z  + -13.574944 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.747766  0.610482 -1.226934   [DEG:  157.4354   34.9781  -70.2982 ]
ZXZ: -0.596292  1.290926 -2.502496   [DEG:  -34.1650   73.9646 -143.3825 ]
 
# END of job
