Chain sequence(s) |
A: EIQLVESGGGLVQPGGSVRLSCAVSGFFLTTYEMAWVRQAPGKGLEWVSSMNMHGGALAYTDSVKGRFTISRDTAQNSLFLDMTGLRAEDTAIYFCARLAECVGECPLIFDHWGQGALVTVSS
B: SSGLTQDPAVSVALGQTVRITCQGDSLRNFFATWYQQKPPQAPVLVLYNKNDRPSGIPDRFSGSTSGNIASLTITGAQAEDEGDYYCLCRDADASPPVLFGGGTRLTVL 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 (00:01:11) [INFO] Main: Simulation completed successfully. (00:01:12) |
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 | -2.0254 | |
2 | I | A | -1.2065 | |
3 | Q | A | -1.5863 | |
4 | L | A | 0.0000 | |
5 | V | A | -0.0973 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.4895 | |
8 | G | A | -0.7596 | |
9 | G | A | 0.0215 | |
10 | G | A | 0.7105 | |
11 | L | A | 1.3533 | |
12 | V | A | -0.0800 | |
13 | Q | A | -1.3606 | |
14 | P | A | -1.5866 | |
15 | G | A | -1.3384 | |
16 | G | A | -0.8853 | |
17 | S | A | -0.9929 | |
18 | V | A | -0.5976 | |
19 | R | A | -1.5051 | |
20 | L | A | 0.0000 | |
21 | S | A | -0.4808 | |
22 | C | A | 0.0000 | |
23 | A | A | -0.2467 | |
24 | V | A | 0.0000 | |
25 | S | A | -0.5155 | |
26 | G | A | -0.6375 | |
27 | F | A | 0.6079 | |
28 | F | A | 1.8018 | |
29 | L | A | 0.0000 | |
30 | T | A | 0.1984 | |
31 | T | A | 0.1261 | |
32 | Y | A | -0.2916 | |
33 | E | A | -1.2067 | |
34 | M | A | 0.0000 | |
35 | A | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | 0.0000 | |
39 | Q | A | 0.0000 | |
40 | A | A | -0.9890 | |
41 | P | A | -0.8872 | |
42 | G | A | -1.4944 | |
43 | K | A | -2.1915 | |
44 | G | A | -1.3611 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.8811 | |
47 | W | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | S | A | 0.0000 | |
50 | S | A | -0.0185 | |
51 | M | A | 0.0000 | |
52 | N | A | -0.6549 | |
53 | M | A | -0.3497 | |
54 | H | A | -1.1352 | |
55 | G | A | -0.7728 | |
56 | G | A | -0.3412 | |
57 | A | A | 0.1171 | |
58 | L | A | 0.7620 | |
59 | A | A | -0.0494 | |
60 | Y | A | -0.7460 | |
61 | T | A | -1.3706 | |
62 | D | A | -2.4357 | |
63 | S | A | -1.7015 | |
64 | V | A | 0.0000 | |
65 | K | A | -2.5514 | |
66 | G | A | -1.6489 | |
67 | R | A | -1.1457 | |
68 | F | A | 0.0000 | |
69 | T | A | -0.6159 | |
70 | I | A | 0.0000 | |
71 | S | A | -0.3204 | |
72 | R | A | -0.8039 | |
73 | D | A | -1.0610 | |
74 | T | A | -0.4611 | |
75 | A | A | -0.5654 | |
76 | Q | A | -1.2336 | |
77 | N | A | -0.4402 | |
78 | S | A | -0.4001 | |
79 | L | A | 0.0000 | |
80 | F | A | -0.5060 | |
81 | L | A | 0.0000 | |
82 | D | A | -1.0728 | |
83 | M | A | 0.0000 | |
84 | T | A | -0.9127 | |
85 | G | A | -1.0352 | |
86 | L | A | 0.0000 | |
87 | R | A | -2.2320 | |
88 | A | A | -1.7347 | |
89 | E | A | -2.2360 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.3593 | |
92 | A | A | 0.0000 | |
93 | I | A | 0.6617 | |
94 | Y | A | 0.0000 | |
95 | F | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | R | A | 0.0000 | |
99 | L | A | 0.0000 | |
100 | A | A | -0.6621 | |
101 | E | A | -1.1251 | |
102 | C | A | 0.3868 | |
103 | V | A | 0.9994 | |
104 | G | A | -0.6542 | |
105 | E | A | -1.5971 | |
106 | C | A | -0.1494 | |
107 | P | A | 0.0000 | |
108 | L | A | -0.1555 | |
109 | I | A | 0.0000 | |
110 | F | A | 0.0000 | |
111 | D | A | -0.5160 | |
112 | H | A | -0.4514 | |
113 | W | A | -0.3562 | |
114 | G | A | 0.0000 | |
115 | Q | A | -1.4075 | |
116 | G | A | -0.3941 | |
117 | A | A | 0.0000 | |
118 | L | A | 1.3535 | |
119 | V | A | 0.0000 | |
120 | T | A | 0.2722 | |
121 | V | A | 0.0000 | |
122 | S | A | -0.7412 | |
123 | S | A | -0.4718 | |
1 | S | B | -0.9866 | |
2 | S | B | -0.6862 | |
3 | G | B | -1.1816 | |
4 | L | B | 0.0000 | |
5 | T | B | -1.0167 | |
6 | Q | B | 0.0000 | |
7 | D | B | -2.2858 | |
8 | P | B | -1.6071 | |
9 | A | B | -1.2620 | |
10 | V | B | -0.8374 | |
11 | S | B | -0.1327 | |
12 | V | B | 0.0000 | |
13 | A | B | 0.7493 | |
14 | L | B | 1.0706 | |
15 | G | B | -0.1962 | |
16 | Q | B | -0.8059 | |
17 | T | B | -1.0412 | |
18 | V | B | 0.0000 | |
19 | R | B | -1.8667 | |
20 | I | B | 0.0000 | |
21 | T | B | -0.9376 | |
22 | C | B | 0.0000 | |
23 | Q | B | -1.6509 | |
24 | G | B | 0.0000 | |
25 | D | B | -3.1105 | |
26 | S | B | 0.0000 | |
27 | L | B | 0.0000 | |
28 | R | B | -3.1873 | |
29 | N | B | -2.6652 | |
30 | F | B | -1.5753 | |
31 | F | B | -1.0535 | |
32 | A | B | 0.0000 | |
33 | T | B | 0.0000 | |
34 | W | B | 0.0000 | |
35 | Y | B | 0.0000 | |
36 | Q | B | -0.2316 | |
37 | Q | B | 0.0000 | |
38 | K | B | -1.3885 | |
39 | P | B | -1.2439 | |
40 | P | B | -1.3352 | |
41 | Q | B | -1.6902 | |
42 | A | B | -0.7882 | |
43 | P | B | 0.0000 | |
44 | V | B | 1.2251 | |
45 | L | B | 0.6878 | |
46 | V | B | 0.0000 | |
47 | L | B | 0.0000 | |
48 | Y | B | -1.1641 | |
49 | N | B | -1.7368 | |
50 | K | B | -2.8091 | |
51 | N | B | -2.4868 | |
52 | D | B | -2.5522 | |
53 | R | B | -2.0817 | |
54 | P | B | -0.6495 | |
55 | S | B | -0.6856 | |
56 | G | B | -0.8191 | |
57 | I | B | -0.6994 | |
58 | P | B | -1.2608 | |
59 | D | B | -2.2851 | |
60 | R | B | -1.3242 | |
61 | F | B | 0.0000 | |
62 | S | B | -1.6396 | |
63 | G | B | -1.3926 | |
64 | S | B | -0.8637 | |
65 | T | B | -0.9673 | |
66 | S | B | -0.8148 | |
67 | G | B | -1.7430 | |
68 | N | B | -2.0744 | |
69 | I | B | -0.7482 | |
70 | A | B | 0.0000 | |
71 | S | B | 0.0000 | |
72 | L | B | 0.0000 | |
73 | T | B | -0.9576 | |
74 | I | B | 0.0000 | |
75 | T | B | -1.1723 | |
76 | G | B | -0.6182 | |
77 | A | B | 0.0000 | |
78 | Q | B | -0.9365 | |
79 | A | B | -0.8317 | |
80 | E | B | -2.2917 | |
81 | D | B | 0.0000 | |
82 | E | B | -2.0767 | |
83 | G | B | -1.7194 | |
84 | D | B | 0.0000 | |
85 | Y | B | 0.0000 | |
86 | Y | B | 0.0000 | |
87 | C | B | 0.0000 | |
88 | L | B | 0.0000 | |
89 | C | B | 0.0000 | |
90 | R | B | -1.2054 | |
91 | D | B | -1.7183 | |
92 | A | B | -2.0411 | |
93 | D | B | -2.2333 | |
94 | A | B | -1.2248 | |
95 | S | B | -1.1916 | |
96 | P | B | -1.0988 | |
97 | P | B | -0.7975 | |
98 | V | B | 0.0000 | |
99 | L | B | 0.0000 | |
100 | F | B | 0.0000 | |
101 | G | B | 0.0000 | |
102 | G | B | -1.4183 | |
103 | G | B | -1.3741 | |
104 | T | B | 0.0000 | |
105 | R | B | -2.4265 | |
106 | L | B | 0.0000 | |
107 | T | B | -0.4189 | |
108 | V | B | 0.2182 | |
109 | L | B | 1.6182 |