Chain sequence(s) |
A: QVQLVQSGSELKKPGASVKISCKASGYSFPTYPMIWVRQAPGQGLEWMGWINTNTGNPSYARDFTGRFVFSSDTSVSTAYLQISSLKADDTAIYYCARMQSTLWWLGQDGSDDSRRDWFFDLWGRGTLVSVSS
B: QSALTQPASVSGSPGQSITISCTGTSSDVGSYNLVSWYQQHPGIAPKLIIYEVNKRPSGVSNRFSGSKSGNTASLTISGLEAEDEADYYCCSYAGSDTLVFGGGTKLTVL 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 (00:02:06) [INFO] Main: Simulation completed successfully. (00:02:07) |
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 | -0.7214 | |
2 | V | A | 0.5911 | |
3 | Q | A | -0.2963 | |
4 | L | A | 0.0000 | |
5 | V | A | -0.3281 | |
6 | Q | A | 0.0000 | |
7 | S | A | -0.7558 | |
8 | G | A | -0.7141 | |
9 | S | A | -0.0397 | |
10 | E | A | -0.1697 | |
11 | L | A | 0.6713 | |
12 | K | A | -1.1475 | |
13 | K | A | -2.2541 | |
14 | P | A | -2.2362 | |
15 | G | A | -1.5709 | |
16 | A | A | -1.2770 | |
17 | S | A | -1.3345 | |
18 | V | A | 0.0000 | |
19 | K | A | -1.6225 | |
20 | I | A | 0.0000 | |
21 | S | A | -0.6940 | |
22 | C | A | 0.0000 | |
23 | K | A | -0.9097 | |
24 | A | A | 0.0000 | |
25 | S | A | -0.2122 | |
26 | G | A | -0.2722 | |
27 | Y | A | 0.0282 | |
28 | S | A | -0.0686 | |
29 | F | A | 0.0000 | |
30 | P | A | -0.8847 | |
31 | T | A | -0.4618 | |
32 | Y | A | -0.2688 | |
33 | P | A | -0.5754 | |
34 | M | A | 0.0000 | |
35 | I | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | -0.4379 | |
39 | Q | A | -0.6077 | |
40 | A | A | -0.9267 | |
41 | P | A | -0.7463 | |
42 | G | A | -1.2433 | |
43 | Q | A | -1.7765 | |
44 | G | A | -1.2286 | |
45 | L | A | 0.0000 | |
46 | E | A | -1.1412 | |
47 | W | A | -0.7235 | |
48 | M | A | 0.0000 | |
49 | G | A | 0.0000 | |
50 | W | A | -0.1946 | |
51 | I | A | 0.0000 | |
52 | N | A | -1.3391 | |
53 | T | A | 0.0000 | |
54 | N | A | -1.8346 | |
55 | T | A | -1.4609 | |
56 | G | A | -1.6052 | |
57 | N | A | -1.8172 | |
58 | P | A | -0.6185 | |
59 | S | A | -0.4235 | |
60 | Y | A | -0.3016 | |
61 | A | A | -1.5087 | |
62 | R | A | -2.8412 | |
63 | D | A | -2.9304 | |
64 | F | A | 0.0000 | |
65 | T | A | -1.1180 | |
66 | G | A | -0.9540 | |
67 | R | A | -0.8842 | |
68 | F | A | 0.0000 | |
69 | V | A | 0.6099 | |
70 | F | A | 0.0000 | |
71 | S | A | -0.3778 | |
72 | S | A | -0.8942 | |
73 | D | A | -0.7808 | |
74 | T | A | -0.4610 | |
75 | S | A | 0.3321 | |
76 | V | A | 1.1365 | |
77 | S | A | 0.0689 | |
78 | T | A | 0.0000 | |
79 | A | A | 0.0000 | |
80 | Y | A | -0.4539 | |
81 | L | A | 0.0000 | |
82 | Q | A | -0.9169 | |
83 | I | A | 0.0000 | |
84 | S | A | -1.0087 | |
85 | S | A | -1.2979 | |
86 | L | A | 0.0000 | |
87 | K | A | -2.8897 | |
88 | A | A | -2.1439 | |
89 | D | A | -2.3751 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.7142 | |
92 | A | A | 0.0000 | |
93 | I | A | 0.4558 | |
94 | Y | A | 0.0000 | |
95 | Y | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | R | A | -0.2975 | |
99 | M | A | 0.0000 | |
100 | Q | A | -0.7058 | |
101 | S | A | -0.5381 | |
102 | T | A | -0.0953 | |
103 | L | A | 0.5866 | |
104 | W | A | 0.1096 | |
105 | W | A | -0.6081 | |
106 | L | A | -0.3206 | |
107 | G | A | -1.3671 | |
108 | Q | A | -2.1211 | |
109 | D | A | -2.6361 | |
110 | G | A | -1.9934 | |
111 | S | A | -1.9087 | |
112 | D | A | -2.6972 | |
113 | D | A | -2.7326 | |
114 | S | A | -1.9502 | |
115 | R | A | -2.1047 | |
116 | R | A | -1.1331 | |
117 | D | A | -0.7988 | |
118 | W | A | 0.0000 | |
119 | F | A | 0.0000 | |
120 | F | A | 0.0000 | |
121 | D | A | -0.7604 | |
122 | L | A | -0.3698 | |
123 | W | A | -0.6343 | |
124 | G | A | 0.0000 | |
125 | R | A | -1.2329 | |
126 | G | A | 0.0000 | |
127 | T | A | 0.0000 | |
128 | L | A | 0.6264 | |
129 | V | A | 0.0000 | |
130 | S | A | -0.2608 | |
131 | V | A | 0.0000 | |
132 | S | A | -1.2125 | |
133 | S | A | -1.1126 | |
1 | Q | B | -1.7760 | |
2 | S | B | -0.8414 | |
3 | A | B | -0.6098 | |
4 | L | B | 0.0000 | |
5 | T | B | -0.3324 | |
6 | Q | B | -0.5716 | |
7 | P | B | -0.5056 | |
8 | A | B | -0.6247 | |
9 | S | B | -0.8500 | |
10 | V | B | -0.4676 | |
11 | S | B | -0.2066 | |
12 | G | B | 0.0000 | |
13 | S | B | -0.3182 | |
14 | P | B | -1.2259 | |
15 | G | B | -1.6061 | |
16 | Q | B | -1.8378 | |
17 | S | B | -1.1844 | |
18 | I | B | -0.3222 | |
19 | T | B | -0.0685 | |
20 | I | B | 0.0000 | |
21 | S | B | -0.2820 | |
22 | C | B | 0.0000 | |
23 | T | B | -0.4887 | |
24 | G | B | -0.5495 | |
25 | T | B | -0.6295 | |
26 | S | B | -0.7131 | |
27 | S | B | -0.5017 | |
28 | D | B | 0.0000 | |
29 | V | B | 0.0000 | |
30 | G | B | -0.9626 | |
31 | S | B | -0.5308 | |
32 | Y | B | -0.1934 | |
33 | N | B | -0.5710 | |
34 | L | B | 0.0000 | |
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 | -0.7334 | |
42 | P | B | -0.1973 | |
43 | G | B | 0.1584 | |
44 | I | B | 1.0474 | |
45 | A | B | 0.0179 | |
46 | P | B | 0.0000 | |
47 | K | B | -1.1303 | |
48 | L | B | 0.0000 | |
49 | I | B | 0.0000 | |
50 | I | B | 0.0000 | |
51 | Y | B | -0.9168 | |
52 | E | B | -1.2575 | |
53 | V | B | 0.0000 | |
54 | N | B | -2.0980 | |
55 | K | B | -1.8667 | |
56 | R | B | -1.7061 | |
57 | P | B | -0.8874 | |
58 | S | B | -0.7847 | |
59 | G | B | -0.7588 | |
60 | V | B | -0.8419 | |
61 | S | B | -1.0718 | |
62 | N | B | -1.7824 | |
63 | R | B | -1.4623 | |
64 | F | B | 0.0000 | |
65 | S | B | -1.2440 | |
66 | G | B | -1.1471 | |
67 | S | B | -1.1000 | |
68 | K | B | -1.1733 | |
69 | S | B | -0.9037 | |
70 | G | B | -1.1103 | |
71 | N | B | -1.2058 | |
72 | T | B | -0.8341 | |
73 | A | B | 0.0000 | |
74 | S | B | -0.5269 | |
75 | L | B | 0.0000 | |
76 | T | B | -0.2905 | |
77 | I | B | 0.0000 | |
78 | S | B | -1.2978 | |
79 | G | B | -1.4334 | |
80 | L | B | 0.0000 | |
81 | E | B | -2.4023 | |
82 | A | B | -1.6286 | |
83 | E | B | -2.6398 | |
84 | D | B | 0.0000 | |
85 | E | B | -2.1970 | |
86 | A | B | 0.0000 | |
87 | D | B | -1.2704 | |
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 | -0.4868 | |
95 | G | B | -0.8616 | |
96 | S | B | -0.9865 | |
97 | D | B | -1.0623 | |
98 | T | B | -0.5157 | |
99 | L | B | 0.0000 | |
100 | V | B | 0.0000 | |
101 | F | B | 0.0000 | |
102 | G | B | 0.0000 | |
103 | G | B | -0.8469 | |
104 | G | B | -0.9776 | |
105 | T | B | 0.0000 | |
106 | K | B | -2.0412 | |
107 | L | B | 0.0000 | |
108 | T | B | -0.5974 | |
109 | V | B | -0.3589 | |
110 | L | B | 1.2597 |