
#######################################################
#                                                     #
#                        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       2.99     2.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66      19_B - 84_B        1.93     3.10
  LCS_AVERAGE:     47.81

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      21_B - 48_B        0.99     3.36
  LCS_AVERAGE:     15.51

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    6    7   14   27   41   49   69   75   83   95  100  104  105  105  105  105  105  105 
LCS_GDT     P     8_B     P     8_B      6    9  105      3    5    6   24   46   65   78   86   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     K     9_B     K     9_B      6   12  105      3    5    6   12   20   33   45   65   79   89   99  102  103  104  105  105  105  105  105  105 
LCS_GDT     V    10_B     V    10_B      6   12  105      3    5    6   15   29   53   70   85   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     Y    11_B     Y    11_B      6   12  105      3    5    6   12   28   42   56   74   90   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A    12_B     A    12_B      6   12  105      3    5    7   12   25   40   60   83   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     P    13_B     P    13_B      5   12  105      3    5    7   14   25   40   72   85   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     V    14_B     V    14_B      5   12  105      3    5    7   15   25   41   74   85   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     T    15_B     T    15_B      5   57  105      3   11   13   18   40   58   71   79   86   94  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     T    16_B     T    16_B      5   58  105      3    4    7    9   19   33   62   78   86   93  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     G    17_B     G    17_B      9   58  105      3    7   13   29   45   60   74   78   86   93  100  102  103  104  105  105  105  105  105  105 
LCS_GDT     A    18_B     A    18_B      9   64  105      3    7   10   15   37   49   65   75   80   90   96  102  103  104  105  105  105  105  105  105 
LCS_GDT     D    19_B     D    19_B      9   66  105      3    9   27   61   71   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     G    20_B     G    20_B      9   66  105      4   10   42   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     K    21_B     K    21_B     28   66  105      7   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     L    22_B     L    22_B     28   66  105     15   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     S    23_B     S    23_B     28   66  105      3   15   44   64   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     L    24_B     L    24_B     28   66  105      7   30   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     S    25_B     S    25_B     28   66  105      3   19   49   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     V    26_B     V    26_B     28   66  105      4   17   43   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     G    27_B     G    27_B     28   66  105      4    8   35   64   73   81   84   87   91   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     G    28_B     G    28_B     28   66  105      4    9   48   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     28   66  105      4   24   50   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     K    30_B     K    30_B     28   66  105     14   30   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     K    31_B     K    31_B     28   66  105     15   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     T    32_B     T    32_B     28   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     F    33_B     F    33_B     28   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     T    34_B     T    34_B     28   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     K    35_B     K    35_B     28   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     V    36_B     V    36_B     28   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     D    37_B     D    37_B     28   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A    38_B     A    38_B     28   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A    39_B     A    39_B     28   66  105     14   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     T    40_B     T    40_B     28   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     K    41_B     K    41_B     28   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A    42_B     A    42_B     28   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     P    43_B     P    43_B     28   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     L    44_B     L    44_B     28   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A    45_B     A    45_B     28   66  105      4   30   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     G    46_B     G    46_B     28   66  105      7   30   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A    47_B     A    47_B     28   66  105      7   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     V    48_B     V    48_B     28   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     F    49_B     F    49_B     26   66  105      6   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     Q    50_B     Q    50_B     26   66  105      8   26   43   64   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     V    51_B     V    51_B     26   66  105     10   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     V    52_B     V    52_B     26   66  105      4   26   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     E    53_B     E    53_B     26   66  105      7   30   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     K    54_B     K    54_B     26   66  105      7   28   52   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     D    55_B     D    55_B     17   66  105      3   15   41   63   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     G    56_B     G    56_B     17   66  105      3   18   42   63   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     D    57_B     D    57_B     17   66  105      4   18   50   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     I    58_B     I    58_B     17   66  105      7   30   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     T    59_B     T    59_B     17   66  105      7   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     L    60_B     L    60_B     17   66  105      7   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     Y    61_B     Y    61_B     17   66  105      4   26   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     E    62_B     E    62_B     17   66  105     11   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     L    63_B     L    63_B     17   66  105      5   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     S    64_B     S    64_B     17   66  105     10   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     S    65_B     S    65_B     17   66  105      6   27   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     P    66_B     P    66_B     17   66  105      5   28   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A    67_B     A    67_B     17   66  105      6   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     G    68_B     G    68_B     17   66  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     Y    69_B     Y    69_B     17   66  105     11   30   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     V    70_B     V    70_B     13   66  105      5   24   49   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     P    71_B     P    71_B      7   66  105      3    4    8   22   50   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     V    72_B     V    72_B      5   66  105      3    7   32   61   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     T    73_B     T    73_B      5   66  105      3    5   36   63   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     N    74_B     N    74_B      5   66  105      3    5   11   16   44   58   75   86   91   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     K    75_B     K    75_B      7   66  105      3   11   26   48   71   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     P    76_B     P    76_B      7   66  105     10   30   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     I    77_B     I    77_B      7   66  105      7   30   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     Y    78_B     Y    78_B      7   66  105      7   30   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     N    79_B     N    79_B      7   66  105      7   30   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     I    80_B     I    80_B      7   66  105     14   32   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     S    81_B     S    81_B      7   66  105      3   30   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     T    82_B     T    82_B      7   66  105      4   11   18   35   49   73   83   86   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     G    83_B     G    83_B      7   66  105      4    6    7   16   43   63   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     E    84_B     E    84_B      7   66  105      4    6    7   47   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A    85_B     A    85_B      7   58  105      4    6    7   13   17   31   68   79   91   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     F    86_B     F    86_B      7    8  105      3    6    8   19   37   72   83   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     D    87_B     D    87_B      7    8  105      3    6   32   63   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     S    88_B     S    88_B      7    8  105      3    6    7   20   32   56   75   86   91   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A    89_B     A    89_B      4   22  105      3    4    5    5   21   50   71   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A    90_B     A    90_B      4   22  105      3    4    5    5   65   71   77   84   87   94  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A    91_B     A    91_B      5   22  105      3    3   13   24   43   66   81   84   87   94  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     S    92_B     S    92_B     16   22  105      8   27   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     V    93_B     V    93_B     16   22  105     15   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     V    94_B     V    94_B     16   22  105     13   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     K    95_B     K    95_B     16   22  105     11   28   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     E    96_B     E    96_B     16   22  105      9   26   43   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     D    97_B     D    97_B     16   22  105      3   21   38   62   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     G    98_B     G    98_B     16   22  105      8   26   39   62   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     Q    99_B     Q    99_B     16   22  105     11   26   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     Y   100_B     Y   100_B     16   22  105     12   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     Y   101_B     Y   101_B     16   22  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     I   102_B     I   102_B     16   22  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     T   103_B     T   103_B     16   22  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     N   104_B     N   104_B     16   22  105     18   33   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     T   105_B     T   105_B     16   22  105      4   25   49   64   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A   106_B     A   106_B     16   22  105      4   25   52   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A   107_B     A   107_B     16   22  105      3   26   53   65   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     L   108_B     L   108_B     10   22  105      3   15   32   59   76   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A   109_B     A   109_B      5   22  105      4   18   38   63   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A   110_B     A   110_B      3   22  105      3   25   43   63   78   81   84   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_GDT     A   111_B     A   111_B      3   22  105      2    5   12   24   53   65   75   87   92   97  101  102  103  104  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  54.44  (  15.51   47.81  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     18     33     53     65     78     81     84     87     92     97    101    102    103    104    105    105    105    105    105    105 
GDT PERCENT_AT  17.14  31.43  50.48  61.90  74.29  77.14  80.00  82.86  87.62  92.38  96.19  97.14  98.10  99.05 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.65   0.97   1.21   1.56   1.65   1.75   1.98   2.29   2.51   2.69   2.74   2.81   2.88   2.99   2.99   2.99   2.99   2.99   2.99
GDT RMS_ALL_AT   3.19   3.20   3.19   3.19   3.08   3.09   3.09   3.06   3.01   3.02   3.01   3.00   3.00   3.00   2.99   2.99   2.99   2.99   2.99   2.99

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_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:  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     9.125     0    0.422   1.164    16.081    2.857    1.270
LGA    P     8_B      P     8_B     4.930     0    0.126   0.132     6.297   22.857   27.415
LGA    K     9_B      K     9_B     7.406     0    0.055   1.331    14.567   14.405    6.455
LGA    V    10_B      V    10_B     5.296     0    0.148   1.062     7.791   18.690   20.952
LGA    Y    11_B      Y    11_B     6.386     0    0.024   1.234    15.765   24.048    8.651
LGA    A    12_B      A    12_B     5.790     0    0.264   0.310     6.783   20.357   18.952
LGA    P    13_B      P    13_B     5.685     0    0.073   0.340     6.226   22.619   22.857
LGA    V    14_B      V    14_B     5.433     0    0.108   1.106     8.535   22.738   19.592
LGA    T    15_B      T    15_B     5.788     0    0.085   1.098     9.034   23.810   16.395
LGA    T    16_B      T    16_B     6.100     0    0.627   0.536     9.161   14.643   10.000
LGA    G    17_B      G    17_B     6.054     0    0.119   0.119     7.028   16.667   16.667
LGA    A    18_B      A    18_B     7.124     0    0.264   0.257     8.100   13.452   11.714
LGA    D    19_B      D    19_B     3.507     0    0.133   0.114     5.039   50.595   41.845
LGA    G    20_B      G    20_B     2.475     0    0.324   0.324     2.900   64.881   64.881
LGA    K    21_B      K    21_B     0.703     0    0.089   0.793     1.940   85.952   82.540
LGA    L    22_B      L    22_B     0.604     0    0.042   0.941     4.965   86.071   73.333
LGA    S    23_B      S    23_B     2.512     0    0.307   0.310     4.914   71.071   58.810
LGA    L    24_B      L    24_B     1.279     0    0.109   0.129     1.903   75.000   77.202
LGA    S    25_B      S    25_B     2.195     0    0.399   0.779     4.434   64.881   58.968
LGA    V    26_B      V    26_B     2.352     0    0.068   1.062     4.412   64.762   58.707
LGA    G    27_B      G    27_B     3.042     0    0.074   0.074     3.042   55.357   55.357
LGA    G    28_B      G    28_B     1.771     0    0.086   0.086     2.180   72.976   72.976
LGA    Y    29_B      Y    29_B     1.354     0    0.482   0.996     6.967   81.548   56.071
LGA    K    30_B      K    30_B     1.382     0    0.070   0.434     2.527   77.143   71.217
LGA    K    31_B      K    31_B     0.953     0    0.106   0.705     2.562   90.476   83.810
LGA    T    32_B      T    32_B     0.532     0    0.043   1.131     2.769   90.476   80.952
LGA    F    33_B      F    33_B     0.563     0    0.065   0.209     1.740   92.857   84.848
LGA    T    34_B      T    34_B     0.561     0    0.059   0.127     0.966   92.857   91.837
LGA    K    35_B      K    35_B     0.535     0    0.089   0.667     2.904   95.238   82.116
LGA    V    36_B      V    36_B     0.665     0    0.056   0.108     1.102   90.476   89.184
LGA    D    37_B      D    37_B     0.927     0    0.082   0.412     1.581   85.952   86.012
LGA    A    38_B      A    38_B     1.040     0    0.030   0.030     1.202   83.690   85.048
LGA    A    39_B      A    39_B     1.526     0    0.113   0.124     1.934   77.143   76.286
LGA    T    40_B      T    40_B     0.718     0    0.014   0.074     1.104   88.214   91.905
LGA    K    41_B      K    41_B     0.822     0    0.110   1.098     5.425   88.214   69.524
LGA    A    42_B      A    42_B     0.580     0    0.019   0.026     0.639   90.476   92.381
LGA    P    43_B      P    43_B     0.545     0    0.026   0.051     1.035   95.238   91.905
LGA    L    44_B      L    44_B     0.462     0    0.058   0.088     0.984   95.238   94.048
LGA    A    45_B      A    45_B     1.289     0    0.034   0.045     2.138   81.548   78.190
LGA    G    46_B      G    46_B     1.925     0    0.035   0.035     2.009   70.833   70.833
LGA    A    47_B      A    47_B     1.349     0    0.105   0.120     1.358   81.429   81.429
LGA    V    48_B      V    48_B     0.962     0    0.023   0.052     1.730   83.690   81.497
LGA    F    49_B      F    49_B     1.185     0    0.047   0.135     1.383   83.690   84.719
LGA    Q    50_B      Q    50_B     2.157     0    0.025   0.290     3.587   72.976   61.905
LGA    V    51_B      V    51_B     1.688     0    0.028   1.161     4.012   72.857   67.755
LGA    V    52_B      V    52_B     1.393     0    0.145   1.100     3.238   85.952   77.075
LGA    E    53_B      E    53_B     1.551     0    0.664   0.804     4.167   69.286   60.476
LGA    K    54_B      K    54_B     1.594     0    0.397   0.469     7.759   61.905   45.714
LGA    D    55_B      D    55_B     2.344     0    0.345   0.309     4.067   55.952   58.452
LGA    G    56_B      G    56_B     2.315     0    0.252   0.252     3.566   57.500   57.500
LGA    D    57_B      D    57_B     1.877     0    0.075   0.816     2.827   75.000   70.952
LGA    I    58_B      I    58_B     1.781     0    0.028   0.106     2.382   70.833   67.798
LGA    T    59_B      T    59_B     1.635     0    0.080   1.101     3.699   72.857   68.707
LGA    L    60_B      L    60_B     1.788     0    0.021   0.124     1.788   72.857   75.000
LGA    Y    61_B      Y    61_B     1.855     0    0.025   0.213     2.073   70.833   76.508
LGA    E    62_B      E    62_B     1.848     0    0.035   0.087     2.441   72.857   68.360
LGA    L    63_B      L    63_B     1.793     0    0.037   1.092     3.157   70.833   67.202
LGA    S    64_B      S    64_B     2.258     0    0.099   0.123     2.506   64.881   64.841
LGA    S    65_B      S    65_B     2.396     0    0.012   0.053     2.797   64.762   62.222
LGA    P    66_B      P    66_B     2.277     0    0.070   0.102     2.382   66.786   65.918
LGA    A    67_B      A    67_B     1.796     0    0.010   0.017     2.078   70.833   71.238
LGA    G    68_B      G    68_B     1.071     0    0.093   0.093     1.292   81.429   81.429
LGA    Y    69_B      Y    69_B     1.672     0    0.072   0.110     2.216   72.976   77.897
LGA    V    70_B      V    70_B     2.351     0    0.059   0.083     3.323   70.952   66.190
LGA    P    71_B      P    71_B     3.242     0    0.025   0.361     4.502   61.190   50.952
LGA    V    72_B      V    72_B     2.128     0    0.141   0.241     4.186   54.048   58.912
LGA    T    73_B      T    73_B     2.138     0    0.599   0.501     2.692   68.810   70.816
LGA    N    74_B      N    74_B     5.177     0    0.255   0.314     8.460   32.976   20.536
LGA    K    75_B      K    75_B     3.205     0    0.213   0.913     4.376   53.810   51.958
LGA    P    76_B      P    76_B     0.954     0    0.059   0.072     1.590   85.952   81.565
LGA    I    77_B      I    77_B     2.000     0    0.111   0.603     2.468   66.786   66.786
LGA    Y    78_B      Y    78_B     1.937     0    0.033   0.118     2.042   72.857   71.508
LGA    N    79_B      N    79_B     1.812     0    0.098   0.933     5.036   70.833   57.857
LGA    I    80_B      I    80_B     1.069     0    0.581   0.979     2.780   75.357   76.250
LGA    S    81_B      S    81_B     1.324     0    0.371   0.348     2.918   81.548   74.683
LGA    T    82_B      T    82_B     4.505     0    0.217   1.174     8.674   43.690   27.959
LGA    G    83_B      G    83_B     3.725     0    0.186   0.186     3.980   48.452   48.452
LGA    E    84_B      E    84_B     2.542     0    0.081   0.143     4.733   51.905   49.259
LGA    A    85_B      A    85_B     5.252     0    0.641   0.603     6.390   31.548   28.667
LGA    F    86_B      F    86_B     4.378     0    0.064   1.242     6.456   35.833   27.662
LGA    D    87_B      D    87_B     2.532     0    0.589   1.208     3.570   51.786   56.607
LGA    S    88_B      S    88_B     5.634     0    0.062   0.125     9.068   34.881   24.286
LGA    A    89_B      A    89_B     4.402     0    0.231   0.234     6.952   37.500   32.667
LGA    A    90_B      A    90_B     5.039     0    0.085   0.087     7.509   27.976   26.667
LGA    A    91_B      A    91_B     4.872     0    0.647   0.581     6.643   38.929   33.810
LGA    S    92_B      S    92_B     0.989     0    0.389   0.341     2.577   83.810   76.190
LGA    V    93_B      V    93_B     0.877     0    0.058   0.079     1.818   90.476   84.150
LGA    V    94_B      V    94_B     0.449     0    0.041   0.069     0.743  100.000   97.279
LGA    K    95_B      K    95_B     1.045     0    0.037   0.176     1.111   83.690   85.450
LGA    E    96_B      E    96_B     1.503     0    0.435   0.851     3.800   65.595   64.444
LGA    D    97_B      D    97_B     1.986     0    0.525   0.575     3.830   63.452   63.155
LGA    G    98_B      G    98_B     2.300     0    0.214   0.214     2.494   64.762   64.762
LGA    Q    99_B      Q    99_B     1.417     0    0.081   0.838     3.458   79.286   69.788
LGA    Y   100_B      Y   100_B     1.032     0    0.017   0.095     1.741   83.690   79.325
LGA    Y   101_B      Y   101_B     0.620     0    0.067   0.096     0.797   90.476   93.651
LGA    I   102_B      I   102_B     0.449     0    0.012   0.106     0.829   92.857   94.048
LGA    T   103_B      T   103_B     0.530     0    0.046   0.085     0.789   92.857   91.837
LGA    N   104_B      N   104_B     0.785     1    0.049   0.425     1.496   85.952   74.643
LGA    T   105_B      T   105_B     1.986     0    0.018   0.027     3.178   72.857   65.102
LGA    A   106_B      A   106_B     1.802     0    0.063   0.074     2.508   66.905   68.095
LGA    A   107_B      A   107_B     2.041     0    0.045   0.053     2.549   75.119   71.524
LGA    L   108_B      L   108_B     2.666     0    0.679   0.573     7.000   64.881   44.881
LGA    A   109_B      A   109_B     2.008     0    0.262   0.346     3.232   61.190   61.905
LGA    A   110_B      A   110_B     1.848     0    0.636   0.615     2.909   65.000   66.571
LGA    A   111_B      A   111_B     6.053     0    0.273   0.353     8.519   19.405   16.095

# 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):     2.991          2.973                  3.626           65.040   61.269

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0     87    1.98    69.048    68.769     4.187

LGA_LOCAL      RMSD:   1.978  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.056  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.991  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.594829 * X  +  -0.152289 * Y  +  -0.789295 * Z  +  46.547203
  Y_new =   0.407210 * X  +   0.789497 * Y  +  -0.459210 * Z  + -65.837357
  Z_new =   0.693079 * X  +  -0.594561 * Y  +  -0.407602 * Z  +   4.823055 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.541289 -0.765751 -2.171760   [DEG:  145.6051  -43.8743 -124.4327 ]
ZXZ: -1.043868  1.990623  2.279833   [DEG:  -59.8092  114.0543  130.6248 ]
 
# END of job
