Chain sequence(s) |
A: QLQLQESGPGLVKPSETLSLICTVSGGSISGSSYFWGWIRQPPGKGLEWIGIMYYTGTTYYSPSLKSRVTISVDRSKNQFSLRLSAVTAADTAVYYCARLVLGDCSSDNCPPIYYYYHMDVWGKGTTVTVSS
B: QSVLTQPPSASGTPGQRVTISCSGSSSNIGTYTVNWYQQLPGTAPKLLIYTNNHRPTGVPDRFSGSKSGTSASLAISGLQSEDEAVYYCAAWDDNLSVPNWVFGGGTKLTVL input PDB |
Selected Chain(s) | A,B |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
pH calculations | No |
alphaCutter usage | No |
Dynamic mode | No |
Automated mutations | No |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:01) [INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01) [INFO] runJob: Creating pdb object from: input.pdb (00:00:01) [INFO] FoldX: Starting FoldX energy minimization (00:00:01) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:01:29) [INFO] Main: Simulation completed successfully. (00:01:31) |
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
residue index | residue name | chain | Aggrescan4D score | mutation |
---|---|---|---|---|
1 | Q | A | -1.6876 | |
2 | L | A | 0.0000 | |
3 | Q | A | -2.1078 | |
4 | L | A | 0.0000 | |
5 | Q | A | -1.6758 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.4153 | |
8 | G | A | -0.2216 | |
9 | P | A | -0.0071 | |
10 | G | A | 0.2668 | |
11 | L | A | 0.8324 | |
12 | V | A | 0.0000 | |
13 | K | A | -2.0276 | |
14 | P | A | -1.4463 | |
15 | S | A | -1.4418 | |
16 | E | A | -2.1630 | |
17 | T | A | -1.6043 | |
18 | L | A | 0.0000 | |
19 | S | A | -0.9757 | |
20 | L | A | 0.0000 | |
21 | I | A | 0.0696 | |
22 | C | A | 0.0000 | |
23 | T | A | -0.9377 | |
24 | V | A | 0.0000 | |
25 | S | A | -1.3382 | |
26 | G | A | -1.3631 | |
27 | G | A | -1.0538 | |
28 | S | A | -1.0388 | |
29 | I | A | 0.0000 | |
30 | S | A | -0.6909 | |
31 | G | A | -0.1810 | |
32 | S | A | -0.1668 | |
33 | S | A | 0.1161 | |
34 | Y | A | 0.4107 | |
35 | F | A | 0.4741 | |
36 | W | A | 0.0000 | |
37 | G | A | 0.0000 | |
38 | W | A | 0.0000 | |
39 | I | A | 0.0000 | |
40 | R | A | 0.0000 | |
41 | Q | A | -0.7540 | |
42 | P | A | -0.8252 | |
43 | P | A | -1.0115 | |
44 | G | A | -1.4743 | |
45 | K | A | -2.3052 | |
46 | G | A | -1.4426 | |
47 | L | A | 0.0000 | |
48 | E | A | 0.0000 | |
49 | W | A | 0.0000 | |
50 | I | A | 0.0000 | |
51 | G | A | 0.0000 | |
52 | I | A | 0.0000 | |
53 | M | A | 0.0000 | |
54 | Y | A | 0.3678 | |
55 | Y | A | -0.1789 | |
56 | T | A | -0.2283 | |
57 | G | A | -0.1476 | |
58 | T | A | 0.0182 | |
59 | T | A | 0.2116 | |
60 | Y | A | 0.3406 | |
61 | Y | A | -0.2158 | |
62 | S | A | 0.0000 | |
63 | P | A | -0.4209 | |
64 | S | A | -0.9231 | |
65 | L | A | 0.0000 | |
66 | K | A | -1.8922 | |
67 | S | A | -1.2719 | |
68 | R | A | -1.3942 | |
69 | V | A | 0.0000 | |
70 | T | A | -1.0264 | |
71 | I | A | 0.0000 | |
72 | S | A | -0.5214 | |
73 | V | A | -0.8095 | |
74 | D | A | -2.0966 | |
75 | R | A | -2.8758 | |
76 | S | A | -2.2289 | |
77 | K | A | -2.7612 | |
78 | N | A | -2.1912 | |
79 | Q | A | -1.5566 | |
80 | F | A | 0.0000 | |
81 | S | A | -0.3237 | |
82 | L | A | 0.0000 | |
83 | R | A | -1.7845 | |
84 | L | A | 0.0000 | |
85 | S | A | -1.1675 | |
86 | A | A | -0.9529 | |
87 | V | A | 0.0000 | |
88 | T | A | -0.6194 | |
89 | A | A | -0.2666 | |
90 | A | A | 0.0181 | |
91 | D | A | 0.0000 | |
92 | T | A | 0.1446 | |
93 | A | A | 0.0000 | |
94 | V | A | 0.0573 | |
95 | Y | A | 0.0000 | |
96 | Y | A | 0.0000 | |
97 | C | A | 0.0000 | |
98 | A | A | 0.0000 | |
99 | R | A | -0.1606 | |
100 | L | A | 0.0000 | |
101 | V | A | 0.6395 | |
102 | L | A | 1.2972 | |
103 | G | A | 0.0000 | |
104 | D | A | -0.1809 | |
105 | C | A | 0.0000 | |
106 | S | A | -1.2212 | |
107 | S | A | -1.6562 | |
108 | D | A | -2.5959 | |
109 | N | A | -2.0950 | |
110 | C | A | -0.9645 | |
111 | P | A | -0.5753 | |
112 | P | A | -0.4097 | |
113 | I | A | 1.0345 | |
114 | Y | A | 2.0691 | |
115 | Y | A | 2.3323 | |
116 | Y | A | 1.7149 | |
117 | Y | A | 1.2507 | |
118 | H | A | 0.0000 | |
119 | M | A | 0.0000 | |
120 | D | A | -0.4477 | |
121 | V | A | -0.7435 | |
122 | W | A | -0.9649 | |
123 | G | A | 0.0000 | |
124 | K | A | -2.0480 | |
125 | G | A | 0.0000 | |
126 | T | A | -0.5897 | |
127 | T | A | 0.1100 | |
128 | V | A | 0.0000 | |
129 | T | A | 0.1556 | |
130 | V | A | 0.0000 | |
131 | S | A | -0.4968 | |
132 | S | A | -0.6980 | |
1 | Q | B | -1.2116 | |
2 | S | B | -0.0852 | |
3 | V | B | 1.2468 | |
4 | L | B | 0.0000 | |
5 | T | B | 0.0458 | |
6 | Q | B | 0.0000 | |
7 | P | B | -0.5866 | |
8 | P | B | -0.7627 | |
9 | S | B | -0.8546 | |
10 | A | B | -0.6712 | |
11 | S | B | -0.3500 | |
12 | G | B | 0.0000 | |
13 | T | B | -0.3807 | |
14 | P | B | -1.1143 | |
15 | G | B | -1.7076 | |
16 | Q | B | -2.1357 | |
17 | R | B | -2.5540 | |
18 | V | B | 0.0000 | |
19 | T | B | -0.5705 | |
20 | I | B | 0.0000 | |
21 | S | B | -0.3475 | |
22 | C | B | 0.0000 | |
23 | S | B | -0.2239 | |
24 | G | B | -0.1656 | |
25 | S | B | -0.4885 | |
26 | S | B | -0.8040 | |
27 | S | B | -0.7729 | |
28 | N | B | 0.0000 | |
29 | I | B | 0.0000 | |
30 | G | B | -0.6847 | |
31 | T | B | -0.2980 | |
32 | Y | B | 0.2824 | |
33 | T | B | 0.0000 | |
34 | V | B | 0.0000 | |
35 | N | B | 0.0000 | |
36 | W | B | 0.0000 | |
37 | Y | B | 0.0000 | |
38 | Q | B | 0.0000 | |
39 | Q | B | 0.0000 | |
40 | L | B | -0.5128 | |
41 | P | B | -0.3739 | |
42 | G | B | -0.6751 | |
43 | T | B | -0.7284 | |
44 | A | B | -0.8566 | |
45 | P | B | 0.0000 | |
46 | K | B | -1.2568 | |
47 | L | B | 0.0000 | |
48 | L | B | 0.0000 | |
49 | I | B | 0.0000 | |
50 | Y | B | -0.4213 | |
51 | T | B | 0.0000 | |
52 | N | B | -1.0963 | |
53 | N | B | -1.7285 | |
54 | H | B | -1.5402 | |
55 | R | B | -1.3600 | |
56 | P | B | -0.5097 | |
57 | T | B | -0.4400 | |
58 | G | B | -0.7721 | |
59 | V | B | -0.8172 | |
60 | P | B | -1.3170 | |
61 | D | B | -2.2201 | |
62 | R | B | -1.6696 | |
63 | F | B | 0.0000 | |
64 | S | B | -1.2011 | |
65 | G | B | -1.0329 | |
66 | S | B | -1.0810 | |
67 | K | B | -1.2287 | |
68 | S | B | -0.8579 | |
69 | G | B | -0.9126 | |
70 | T | B | -0.7440 | |
71 | S | B | -0.7352 | |
72 | A | B | 0.0000 | |
73 | S | B | -0.6075 | |
74 | L | B | 0.0000 | |
75 | A | B | -0.6217 | |
76 | I | B | 0.0000 | |
77 | S | B | -1.7986 | |
78 | G | B | -1.5864 | |
79 | L | B | 0.0000 | |
80 | Q | B | -1.7674 | |
81 | S | B | -1.5185 | |
82 | E | B | -2.4018 | |
83 | D | B | 0.0000 | |
84 | E | B | -1.5978 | |
85 | A | B | 0.0000 | |
86 | V | B | -0.4566 | |
87 | Y | B | 0.0000 | |
88 | Y | B | 0.0000 | |
89 | C | B | 0.0000 | |
90 | A | B | 0.0000 | |
91 | A | B | 0.0000 | |
92 | W | B | 0.0006 | |
93 | D | B | 0.0000 | |
94 | D | B | -1.0795 | |
95 | N | B | -1.1562 | |
96 | L | B | 0.2904 | |
97 | S | B | 0.1008 | |
98 | V | B | 0.4487 | |
99 | P | B | -0.0679 | |
100 | N | B | 0.0000 | |
101 | W | B | 0.0000 | |
102 | V | B | 0.0000 | |
103 | F | B | 0.0000 | |
104 | G | B | 0.0000 | |
105 | G | B | -0.7821 | |
106 | G | B | -0.8228 | |
107 | T | B | 0.0000 | |
108 | K | B | -1.4118 | |
109 | L | B | 0.0000 | |
110 | T | B | -0.5416 | |
111 | V | B | 0.0000 | |
112 | L | B | 1.1049 |