Chain sequence(s) |
A: EVQLVESGGGLVQPGRSLRLYCAASGFIFNDYAMHWVRQAPGKGLEWVSGINWNSDNIGYADSVKGRFTISRDNARNSLYLQMDSLRAADTALYYCAKDIGRGDGFYHDDTGYPTTHYYFGMDVWGQGTTVAVSS
B: QSALTQPRSVSGSPGQSVTISCTGTSSDVGGYDYVSWYQQHPGKAPKLMIYDVTKRPSGVPDRFSGSKSGNTASLTISGLQPEDEADYYCCSYAGSNTFVVFGGATKLTVL 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 (00:01:32) [INFO] Main: Simulation completed successfully. (00:01:33) |
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 | E | A | -1.9776 | |
2 | V | A | -0.7387 | |
3 | Q | A | -1.0588 | |
4 | L | A | 0.0000 | |
5 | V | A | 0.9478 | |
6 | E | A | 0.0000 | |
7 | S | A | 0.0409 | |
8 | G | A | -0.3089 | |
9 | G | A | -0.0366 | |
10 | G | A | 0.4034 | |
11 | L | A | 1.2607 | |
12 | V | A | -0.3224 | |
13 | Q | A | -1.6173 | |
14 | P | A | -1.9296 | |
15 | G | A | -2.2275 | |
16 | R | A | -2.5861 | |
17 | S | A | -1.8290 | |
18 | L | A | -0.7163 | |
19 | R | A | -0.8020 | |
20 | L | A | 0.0000 | |
21 | Y | A | 0.7605 | |
22 | C | A | 0.0000 | |
23 | A | A | 0.0966 | |
24 | A | A | 0.0000 | |
25 | S | A | -0.6402 | |
26 | G | A | -0.7439 | |
27 | F | A | 0.4678 | |
28 | I | A | 1.6331 | |
29 | F | A | 0.0000 | |
30 | N | A | -0.9228 | |
31 | D | A | -0.1932 | |
32 | Y | A | 0.1468 | |
33 | A | 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 | 0.0000 | |
39 | Q | A | -0.8773 | |
40 | A | A | -0.9412 | |
41 | P | A | -1.0259 | |
42 | G | A | -1.5042 | |
43 | K | A | -2.2466 | |
44 | G | A | -1.4706 | |
45 | L | A | 0.0000 | |
46 | E | A | -1.0296 | |
47 | W | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | S | A | 0.0000 | |
50 | G | A | 0.0000 | |
51 | I | A | 0.0000 | |
52 | N | A | 0.0000 | |
53 | W | A | -0.8160 | |
54 | N | A | -1.4933 | |
55 | S | A | -1.4251 | |
56 | D | A | -1.7019 | |
57 | N | A | -0.5086 | |
58 | I | A | 0.5559 | |
59 | G | A | 0.0000 | |
60 | Y | A | -0.8880 | |
61 | A | A | -1.7765 | |
62 | D | A | -2.8934 | |
63 | S | A | -1.7685 | |
64 | V | A | 0.0000 | |
65 | K | A | -2.5962 | |
66 | G | A | -1.7710 | |
67 | R | A | -1.5171 | |
68 | F | A | 0.0000 | |
69 | T | A | -0.6117 | |
70 | I | A | 0.0000 | |
71 | S | A | -0.3551 | |
72 | R | A | -1.3222 | |
73 | D | A | -2.4232 | |
74 | N | A | -1.9925 | |
75 | A | A | -1.7414 | |
76 | R | A | -2.7240 | |
77 | N | A | -1.8175 | |
78 | S | A | -1.1818 | |
79 | L | A | 0.0000 | |
80 | Y | A | -0.0526 | |
81 | L | A | 0.0000 | |
82 | Q | A | -0.6477 | |
83 | M | A | 0.0000 | |
84 | D | A | -1.9187 | |
85 | S | A | -1.9209 | |
86 | L | A | 0.0000 | |
87 | R | A | -2.4234 | |
88 | A | A | -1.0615 | |
89 | A | A | -0.5535 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.1328 | |
92 | A | A | 0.0000 | |
93 | L | A | 0.0397 | |
94 | Y | A | 0.0000 | |
95 | Y | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | K | A | 0.0000 | |
99 | D | A | 0.0000 | |
100 | I | A | 0.3868 | |
101 | G | A | 0.0000 | |
102 | R | A | -0.4359 | |
103 | G | A | 0.0000 | |
104 | D | A | -0.5443 | |
105 | G | A | 0.0000 | |
106 | F | A | 0.0000 | |
107 | Y | A | 0.2644 | |
108 | H | A | -0.6178 | |
109 | D | A | -0.9409 | |
110 | D | A | -0.5458 | |
111 | T | A | -0.7273 | |
112 | G | A | -0.1181 | |
113 | Y | A | 0.5963 | |
114 | P | A | 0.0485 | |
115 | T | A | -0.0562 | |
116 | T | A | -0.2376 | |
117 | H | A | -0.4026 | |
118 | Y | A | 0.0000 | |
119 | Y | A | 0.2626 | |
120 | F | A | 0.0000 | |
121 | G | A | 0.0000 | |
122 | M | A | 0.0000 | |
123 | D | A | -0.6015 | |
124 | V | A | -0.2465 | |
125 | W | A | -0.3340 | |
126 | G | A | 0.0000 | |
127 | Q | A | -1.3044 | |
128 | G | A | -0.5344 | |
129 | T | A | -0.0979 | |
130 | T | A | -0.0237 | |
131 | V | A | 0.0000 | |
132 | A | A | 0.2042 | |
133 | V | A | 0.0000 | |
134 | S | A | -0.5654 | |
135 | S | A | -0.4651 | |
1 | Q | B | -1.7332 | |
2 | S | B | -0.8127 | |
3 | A | B | -0.5424 | |
4 | L | B | 0.0000 | |
5 | T | B | -0.4977 | |
6 | Q | B | -0.9502 | |
7 | P | B | -1.3279 | |
8 | R | B | -2.4089 | |
9 | S | B | -1.6567 | |
10 | V | B | -0.6472 | |
11 | S | B | -0.2119 | |
12 | G | B | 0.0000 | |
13 | S | B | -0.1952 | |
14 | P | B | -0.9293 | |
15 | G | B | -1.3879 | |
16 | Q | B | -1.7035 | |
17 | S | B | -1.0911 | |
18 | V | B | -0.3164 | |
19 | T | B | -0.0754 | |
20 | I | B | 0.0000 | |
21 | S | B | -0.2843 | |
22 | C | B | 0.0000 | |
23 | T | B | -0.5223 | |
24 | G | B | -0.6203 | |
25 | T | B | -0.7022 | |
26 | S | B | -0.7960 | |
27 | S | B | -0.7462 | |
28 | D | B | -0.7823 | |
29 | V | B | 0.0000 | |
30 | G | B | -1.3369 | |
31 | G | B | -1.0604 | |
32 | Y | B | -1.2558 | |
33 | D | B | -1.8364 | |
34 | Y | B | -0.6878 | |
35 | V | B | 0.0000 | |
36 | S | B | 0.0000 | |
37 | W | B | 0.0000 | |
38 | Y | B | 0.0000 | |
39 | Q | B | 0.0000 | |
40 | Q | B | 0.0000 | |
41 | H | B | -1.8433 | |
42 | P | B | -1.3234 | |
43 | G | B | -1.5544 | |
44 | K | B | -2.3895 | |
45 | A | B | -1.5414 | |
46 | P | B | 0.0000 | |
47 | K | B | -1.6029 | |
48 | L | B | 0.0000 | |
49 | M | B | 0.0000 | |
50 | I | B | 0.0000 | |
51 | Y | B | -0.5817 | |
52 | D | B | -0.8410 | |
53 | V | B | 0.0000 | |
54 | T | B | -1.1148 | |
55 | K | B | -1.6278 | |
56 | R | B | -1.5917 | |
57 | P | B | -0.7960 | |
58 | S | B | -0.6923 | |
59 | G | B | -0.8346 | |
60 | V | B | -1.0879 | |
61 | P | B | -1.3217 | |
62 | D | B | -2.3441 | |
63 | R | B | -1.4980 | |
64 | F | B | 0.0000 | |
65 | S | B | -1.0696 | |
66 | G | B | -0.6480 | |
67 | S | B | -0.8835 | |
68 | K | B | -1.2117 | |
69 | S | B | -0.9115 | |
70 | G | B | -1.1318 | |
71 | N | B | -1.2851 | |
72 | T | B | -0.8701 | |
73 | A | B | 0.0000 | |
74 | S | B | -0.3820 | |
75 | L | B | 0.0000 | |
76 | T | B | -0.2725 | |
77 | I | B | 0.0000 | |
78 | S | B | -1.1911 | |
79 | G | B | -1.2954 | |
80 | L | B | 0.0000 | |
81 | Q | B | -1.6665 | |
82 | P | B | -1.4958 | |
83 | E | B | -2.4940 | |
84 | D | B | 0.0000 | |
85 | E | B | -2.1645 | |
86 | A | B | 0.0000 | |
87 | D | B | -1.7568 | |
88 | Y | B | 0.0000 | |
89 | Y | B | 0.0000 | |
90 | C | B | 0.0000 | |
91 | C | B | 0.0000 | |
92 | S | B | 0.0000 | |
93 | Y | B | 0.0000 | |
94 | A | B | 0.0000 | |
95 | G | B | 0.0000 | |
96 | S | B | -0.5877 | |
97 | N | B | -1.3393 | |
98 | T | B | -1.0955 | |
99 | F | B | 0.0492 | |
100 | V | B | 0.0000 | |
101 | V | B | 0.0000 | |
102 | F | B | 0.0000 | |
103 | G | B | 0.0000 | |
104 | G | B | -1.2348 | |
105 | A | B | -1.4836 | |
106 | T | B | 0.0000 | |
107 | K | B | -2.5996 | |
108 | L | B | 0.0000 | |
109 | T | B | -0.6399 | |
110 | V | B | -0.2956 | |
111 | L | B | 1.3064 |