Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCRASENIYSYLAWYQQKPGKSPKVLVYNAKTLAEGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQSHFGIPWTFGGGTKVEIK
B: QVQLQESGPGLVKPSETLSITCTVSGFSLTWYGINWVRQPPGKGLEWLGMIWGDGSRDYNSALKSRLTISKDTSKSQVSLKLSSVTAADTAVYYCARVQIRHGWNEGVNDYWGQGTTVTVSS input PDB |
Selected Chain(s) | A,B |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | WH31B |
Energy difference between WT (input) and mutated protein (by FoldX) | -0.0288445 kcal/mol |
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 minimalization (00:00:00) [INFO] FoldX: Building mutant model (00:00:45) [INFO] FoldX: Starting FoldX energy minimalization (00:00:50) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:01:35) [INFO] Main: Simulation completed successfully. (00:01:36) |
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
residue index | residue name | chain | Aggrescan3D score | mutation |
---|---|---|---|---|
residue index | residue name | chain | Aggrescan3D score | |
1 | D | A | -2.1567 | |
2 | I | A | -1.6107 | |
3 | Q | A | -2.0879 | |
4 | M | A | 0.0000 | |
5 | T | A | -1.1109 | |
6 | Q | A | -0.9415 | |
7 | S | A | -0.6057 | |
8 | P | A | -0.5236 | |
9 | S | A | -0.7395 | |
10 | S | A | -0.9283 | |
11 | L | A | -0.5404 | |
12 | S | A | -0.9532 | |
13 | A | A | 0.0000 | |
14 | S | A | -0.6626 | |
15 | V | A | 0.2360 | |
16 | G | A | -0.7362 | |
17 | D | A | -1.5503 | |
18 | R | A | -2.2583 | |
19 | V | A | 0.0000 | |
20 | T | A | -0.6014 | |
21 | I | A | 0.0000 | |
22 | T | A | -0.7362 | |
23 | C | A | 0.0000 | |
24 | R | A | -2.3239 | |
25 | A | A | 0.0000 | |
26 | S | A | -2.2204 | |
27 | E | A | -2.7342 | |
28 | N | A | -1.3622 | |
29 | I | A | 0.0000 | |
30 | Y | A | 0.6356 | |
31 | S | A | -0.0160 | |
32 | Y | A | 0.4451 | |
33 | L | A | 0.0000 | |
34 | A | A | 0.0000 | |
35 | W | A | 0.0000 | |
36 | Y | A | 0.0000 | |
37 | Q | A | 0.0000 | |
38 | Q | A | 0.0000 | |
39 | K | A | -1.5701 | |
40 | P | A | -1.1343 | |
41 | G | A | -1.6941 | |
42 | K | A | -2.6059 | |
43 | S | A | -1.6106 | |
44 | P | A | 0.0000 | |
45 | K | A | -1.4647 | |
46 | V | A | 0.0000 | |
47 | L | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | Y | A | -0.3759 | |
50 | N | A | -0.5303 | |
51 | A | A | 0.0000 | |
52 | K | A | -1.7985 | |
53 | T | A | -0.9424 | |
54 | L | A | -0.4983 | |
55 | A | A | -1.0759 | |
56 | E | A | -1.9193 | |
57 | G | A | -1.2352 | |
58 | V | A | -0.7639 | |
59 | P | A | -0.5199 | |
60 | S | A | -0.3979 | |
61 | R | A | -0.7946 | |
62 | F | A | 0.0000 | |
63 | S | A | -0.6311 | |
64 | G | A | 0.0000 | |
65 | S | A | -1.1997 | |
66 | G | A | -1.1935 | |
67 | S | A | -0.8963 | |
68 | G | A | -0.8891 | |
69 | T | A | -1.8378 | |
70 | D | A | -2.5138 | |
71 | F | A | 0.0000 | |
72 | T | A | -0.9147 | |
73 | L | A | 0.0000 | |
74 | T | A | -0.5863 | |
75 | I | A | 0.0000 | |
76 | S | A | -1.3517 | |
77 | S | A | -1.1667 | |
78 | L | A | 0.0000 | |
79 | Q | A | -0.7214 | |
80 | P | A | -0.9086 | |
81 | E | A | -1.2739 | |
82 | D | A | 0.0000 | |
83 | F | A | -0.6078 | |
84 | A | A | 0.0000 | |
85 | T | A | -0.8109 | |
86 | Y | A | 0.0000 | |
87 | Y | A | 0.0000 | |
88 | C | A | 0.0000 | |
89 | Q | A | 0.0000 | |
90 | S | A | 0.0000 | |
91 | H | A | 0.0000 | |
92 | F | A | 1.0101 | |
93 | G | A | 0.5579 | |
94 | I | A | 0.2726 | |
95 | P | A | -0.1949 | |
96 | W | A | 0.0000 | |
97 | T | A | -0.4862 | |
98 | F | A | 0.0000 | |
99 | G | A | 0.0000 | |
100 | G | A | -1.1991 | |
101 | G | A | 0.0000 | |
102 | T | A | 0.0000 | |
103 | K | A | -1.5208 | |
104 | V | A | 0.0000 | |
105 | E | A | -1.4879 | |
106 | I | A | -0.9917 | |
107 | K | A | -1.5005 | |
1 | Q | B | -1.5326 | |
2 | V | B | -0.9177 | |
3 | Q | B | -1.6486 | |
4 | L | B | 0.0000 | |
5 | Q | B | -1.4922 | |
6 | E | B | 0.0000 | |
7 | S | B | -0.7730 | |
8 | G | B | -0.4794 | |
9 | P | B | -0.1882 | |
10 | G | B | -0.0316 | |
11 | L | B | 0.5234 | |
12 | V | B | 0.0000 | |
13 | K | B | -1.5732 | |
14 | P | B | -1.2376 | |
15 | S | B | -1.3512 | |
16 | E | B | -1.9099 | |
17 | T | B | -1.3900 | |
18 | L | B | 0.0000 | |
19 | S | B | -0.8948 | |
20 | I | B | 0.0000 | |
21 | T | B | -0.7148 | |
22 | C | B | 0.0000 | |
23 | T | B | -1.2273 | |
24 | V | B | 0.0000 | |
25 | S | B | -1.2693 | |
26 | G | B | -1.0628 | |
27 | F | B | -0.5166 | |
28 | S | B | -0.5940 | |
29 | L | B | 0.0000 | |
30 | T | B | -1.0928 | |
31 | H | B | -1.1664 | mutated: WH31B |
32 | Y | B | -0.4115 | |
33 | G | B | 0.0000 | |
34 | I | B | 0.0000 | |
35 | N | B | 0.0000 | |
36 | W | B | 0.0000 | |
37 | V | B | 0.0000 | |
38 | R | B | 0.0000 | |
39 | Q | B | -0.7681 | |
40 | P | B | -0.8872 | |
41 | P | B | -1.0116 | |
42 | G | B | -1.4750 | |
43 | K | B | -2.2461 | |
44 | G | B | -1.3838 | |
45 | L | B | 0.0000 | |
46 | E | B | -0.8643 | |
47 | W | B | 0.0000 | |
48 | L | B | 0.0000 | |
49 | G | B | 0.0000 | |
50 | M | B | 0.0000 | |
51 | I | B | 0.0000 | |
52 | W | B | 0.0000 | |
53 | G | B | -1.2328 | |
54 | D | B | -2.0627 | |
55 | G | B | -1.4607 | |
56 | S | B | -1.3205 | |
57 | R | B | -1.5649 | |
58 | D | B | -1.1366 | |
59 | Y | B | -0.9456 | |
60 | N | B | -0.9722 | |
61 | S | B | -1.1427 | |
62 | A | B | -0.6301 | |
63 | L | B | 0.0000 | |
64 | K | B | -2.0478 | |
65 | S | B | -1.2764 | |
66 | R | B | -1.3366 | |
67 | L | B | 0.0000 | |
68 | T | B | -1.1214 | |
69 | I | B | 0.0000 | |
70 | S | B | -0.9358 | |
71 | K | B | -1.3683 | |
72 | D | B | -1.9843 | |
73 | T | B | -1.4839 | |
74 | S | B | -1.5374 | |
75 | K | B | -2.4172 | |
76 | S | B | -1.6570 | |
77 | Q | B | -1.7796 | |
78 | V | B | 0.0000 | |
79 | S | B | -0.8524 | |
80 | L | B | 0.0000 | |
81 | K | B | -1.4075 | |
82 | L | B | 0.0000 | |
83 | S | B | -1.1191 | |
84 | S | B | -1.0649 | |
85 | V | B | 0.0000 | |
86 | T | B | -0.5879 | |
87 | A | B | -0.2044 | |
88 | A | B | 0.0188 | |
89 | D | B | 0.0000 | |
90 | T | B | 0.0920 | |
91 | A | B | 0.0000 | |
92 | V | B | 0.1034 | |
93 | Y | B | 0.0000 | |
94 | Y | B | 0.0000 | |
95 | C | B | 0.0000 | |
96 | A | B | 0.0000 | |
97 | R | B | 0.0000 | |
98 | V | B | 0.0000 | |
99 | Q | B | -0.2241 | |
100 | I | B | 0.0352 | |
101 | R | B | -0.7647 | |
102 | H | B | -1.0986 | |
103 | G | B | -0.3135 | |
104 | W | B | 0.4023 | |
105 | N | B | 0.0111 | |
106 | E | B | -0.0897 | |
107 | G | B | 0.0000 | |
108 | V | B | 0.0000 | |
109 | N | B | 0.0000 | |
110 | D | B | -0.4370 | |
111 | Y | B | 0.1180 | |
112 | W | B | -0.5676 | |
113 | G | B | 0.0000 | |
114 | Q | B | -1.8330 | |
115 | G | B | 0.0000 | |
116 | T | B | -0.4954 | |
117 | T | B | -0.1139 | |
118 | V | B | 0.0000 | |
119 | T | B | 0.0517 | |
120 | V | B | 0.0000 | |
121 | S | B | -0.3670 | |
122 | S | B | -0.5559 |