Chain sequence(s) |
A: QVPLVQSGAEVKKPGASVKVACKASGYTFTAYYMHWVRQAPGQGLEPMAWTNPHRRDTKVAQKFQGRVTLTTDTSTDTAYMELRGLRPDDTATYFCASGLRGGAYYYAMDVWGQGTTVTVSS
B: QAVVTQEPSLTVSPGGTVTLTCASSTGAVTADHYSYWFQQKPGQAPTTLIYDTIEKHSWTPARFSGSLRGGKAALTLSGAQPEDEAEYHCLLSFGGVVSDSELSYSGDRYVVFGGGTKLTVL 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] (00:00:00) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:00) [INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00) [INFO] runJob: Creating pdb object from: input.pdb (00:00:00) [INFO] FoldX: Starting FoldX energy minimization (00:00:00) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:02:10) [INFO] Main: Simulation completed successfully. (00:02:13) |
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 | -0.7241 | |
2 | V | A | 0.7797 | |
3 | P | A | 0.2025 | |
4 | L | A | 0.0000 | |
5 | V | A | 1.2492 | |
6 | Q | A | 0.0000 | |
7 | S | A | -0.5153 | |
8 | G | A | -0.6344 | |
9 | A | A | -0.3281 | |
10 | E | A | -0.5324 | |
11 | V | A | 0.6691 | |
12 | K | A | -1.1044 | |
13 | K | A | -2.2441 | |
14 | P | A | -2.4275 | |
15 | G | A | -1.8117 | |
16 | A | A | -1.4540 | |
17 | S | A | -1.5717 | |
18 | V | A | 0.0000 | |
19 | K | A | -1.9198 | |
20 | V | A | 0.0000 | |
21 | A | A | -0.3600 | |
22 | C | A | 0.0000 | |
23 | K | A | -0.9998 | |
24 | A | A | 0.0000 | |
25 | S | A | -0.5438 | |
26 | G | A | -0.4941 | |
27 | Y | A | -0.0633 | |
28 | T | A | -0.1103 | |
29 | F | A | 0.0000 | |
30 | T | A | -0.8841 | |
31 | A | A | -0.3854 | |
32 | Y | A | -0.0412 | |
33 | Y | A | 0.0000 | |
34 | M | A | 0.0000 | |
35 | H | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | -0.5738 | |
39 | Q | A | -0.8456 | |
40 | A | A | -1.1285 | |
41 | P | A | -0.9361 | |
42 | G | A | -1.2218 | |
43 | Q | A | -1.7612 | |
44 | G | A | -1.2028 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.6405 | |
47 | P | A | -0.3044 | |
48 | M | A | 0.0000 | |
49 | A | A | 0.0000 | |
50 | W | A | 0.0000 | |
51 | T | A | 0.0000 | |
52 | N | A | 0.0000 | |
53 | P | A | 0.0000 | |
54 | H | A | -2.2163 | |
55 | R | A | -2.7835 | |
56 | R | A | -2.9904 | |
57 | D | A | -2.0726 | |
58 | T | A | -1.0958 | |
59 | K | A | -1.0526 | |
60 | V | A | -1.0812 | |
61 | A | A | -1.4841 | |
62 | Q | A | -2.5674 | |
63 | K | A | -2.7116 | |
64 | F | A | 0.0000 | |
65 | Q | A | -2.4812 | |
66 | G | A | -1.7250 | |
67 | R | A | -1.6584 | |
68 | V | A | 0.0000 | |
69 | T | A | -0.6419 | |
70 | L | A | -0.0420 | |
71 | T | A | -0.2635 | |
72 | T | A | -0.7047 | |
73 | D | A | -1.4402 | |
74 | T | A | -1.0670 | |
75 | S | A | -0.8703 | |
76 | T | A | -1.1847 | |
77 | D | A | -1.7533 | |
78 | T | A | 0.0000 | |
79 | A | A | 0.0000 | |
80 | Y | A | -0.2917 | |
81 | M | A | 0.0000 | |
82 | E | A | -1.1482 | |
83 | L | A | 0.0000 | |
84 | R | A | -1.6687 | |
85 | G | A | -1.6707 | |
86 | L | A | 0.0000 | |
87 | R | A | -3.2540 | |
88 | P | A | -2.4672 | |
89 | D | A | -2.5266 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.9704 | |
92 | A | A | 0.0000 | |
93 | T | A | -0.3626 | |
94 | Y | A | 0.0000 | |
95 | F | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | S | A | 0.0000 | |
99 | G | A | 0.0000 | |
100 | L | A | 0.5803 | |
101 | R | A | -0.0254 | |
102 | G | A | -0.3584 | |
103 | G | A | -0.1363 | |
104 | A | A | 0.0000 | |
105 | Y | A | 0.2539 | |
106 | Y | A | 0.0000 | |
107 | Y | A | 0.0000 | |
108 | A | A | 0.0000 | |
109 | M | A | 0.0000 | |
110 | D | A | 0.0000 | |
111 | V | A | 0.3610 | |
112 | W | A | 0.0000 | |
113 | G | A | 0.0000 | |
114 | Q | A | -0.8334 | |
115 | G | A | -0.6743 | |
116 | T | A | 0.0000 | |
117 | T | A | -0.2956 | |
118 | V | A | 0.0000 | |
119 | T | A | -0.5329 | |
120 | V | A | 0.0000 | |
121 | S | A | -1.1321 | |
122 | S | A | -1.2036 | |
1 | Q | B | -0.7500 | |
2 | A | B | 0.0000 | |
3 | V | B | 1.3737 | |
4 | V | B | 0.0000 | |
5 | T | B | 0.0190 | |
6 | Q | B | 0.0000 | |
7 | E | B | -0.8649 | |
8 | P | B | -1.0492 | |
9 | S | B | -1.0262 | |
10 | L | B | -0.3301 | |
11 | T | B | -0.0793 | |
12 | V | B | 0.0000 | |
13 | S | B | 0.0401 | |
14 | P | B | -0.5816 | |
15 | G | B | -0.7370 | |
16 | G | B | -0.4525 | |
17 | T | B | -0.3663 | |
18 | V | B | 0.0321 | |
19 | T | B | -0.0916 | |
20 | L | B | 0.0000 | |
21 | T | B | -0.4648 | |
22 | C | B | 0.0000 | |
23 | A | B | -0.3235 | |
24 | S | B | 0.1249 | |
25 | S | B | 0.0656 | |
26 | T | B | -0.1859 | |
27 | G | B | -0.5367 | |
28 | A | B | -0.5689 | |
29 | V | B | 0.0000 | |
30 | T | B | -0.7812 | |
31 | A | B | -0.4935 | |
32 | D | B | -1.5482 | |
33 | H | B | -0.9399 | |
34 | Y | B | -0.1845 | |
35 | S | B | 0.0000 | |
36 | Y | B | 0.0000 | |
37 | W | B | 0.0000 | |
38 | F | B | 0.0000 | |
39 | Q | B | -0.6891 | |
40 | Q | B | 0.0000 | |
41 | K | B | -2.0738 | |
42 | P | B | -1.3884 | |
43 | G | B | -1.4908 | |
44 | Q | B | -2.0035 | |
45 | A | B | -1.2325 | |
46 | P | B | 0.0000 | |
47 | T | B | -0.2176 | |
48 | T | B | 0.0000 | |
49 | L | B | 0.0000 | |
50 | I | B | 0.0000 | |
51 | Y | B | -0.0643 | |
52 | D | B | -0.2371 | |
53 | T | B | 0.0000 | |
54 | I | B | 1.2535 | |
55 | E | B | -0.7758 | |
56 | K | B | -1.0315 | |
57 | H | B | -0.6879 | |
58 | S | B | -0.3028 | |
59 | W | B | 0.3370 | |
60 | T | B | 0.0000 | |
61 | P | B | -0.2051 | |
62 | A | B | -0.3107 | |
63 | R | B | -0.6275 | |
64 | F | B | 0.0000 | |
65 | S | B | -0.1497 | |
66 | G | B | 0.0000 | |
67 | S | B | 0.2406 | |
68 | L | B | -0.0458 | |
69 | R | B | -1.5381 | |
70 | G | B | -1.2446 | |
71 | G | B | -1.0020 | |
72 | K | B | -1.0878 | |
73 | A | B | 0.0000 | |
74 | A | B | 0.0000 | |
75 | L | B | 0.0000 | |
76 | T | B | -0.1624 | |
77 | L | B | 0.0000 | |
78 | S | B | -0.6042 | |
79 | G | B | -0.7579 | |
80 | A | B | 0.0000 | |
81 | Q | B | -1.6051 | |
82 | P | B | -1.6023 | |
83 | E | B | -2.6259 | |
84 | D | B | 0.0000 | |
85 | E | B | -2.3653 | |
86 | A | B | 0.0000 | |
87 | E | B | -1.6562 | |
88 | Y | B | 0.0000 | |
89 | H | B | 0.0000 | |
90 | C | B | 0.0000 | |
91 | L | B | 0.0000 | |
92 | L | B | 0.0000 | |
93 | S | B | 0.0000 | |
94 | F | B | 0.0000 | |
95 | G | B | -0.6767 | |
96 | G | B | -0.1202 | |
97 | V | B | 1.2131 | |
98 | V | B | 0.1779 | |
99 | S | B | -0.6370 | |
100 | D | B | -2.0719 | |
101 | S | B | -1.2373 | |
102 | E | B | -1.4645 | |
103 | L | B | 0.4588 | |
104 | S | B | 0.3946 | |
105 | Y | B | 0.8100 | |
106 | S | B | 0.0000 | |
107 | G | B | -0.4976 | |
108 | D | B | -1.7219 | |
109 | R | B | 0.0000 | |
110 | Y | B | -0.2865 | |
111 | V | B | 0.3586 | |
112 | V | B | 0.4609 | |
113 | F | B | 0.0000 | |
114 | G | B | 0.0000 | |
115 | G | B | -0.9001 | |
116 | G | B | -1.1593 | |
117 | T | B | 0.0000 | |
118 | K | B | -2.3127 | |
119 | L | B | 0.0000 | |
120 | T | B | -0.7775 | |
121 | V | B | 0.0000 | |
122 | L | B | 1.0789 |