Chain sequence(s) |
A: QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYDINWVRQATGQGLEWMGWMNPNSGNTGYAQKFQGRVTMTRNTSISTAYMELSSLRSEDTAVYYCARGIELYYDFWSGYSNRADLYYYYGMDVWGQGTTVTVSS
B: DIVMTQSPDSLAVSLGERATINCKSSQSVLYSSNNKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYSTPLTFGGGTKVEIK 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 (00:02:31) [INFO] Main: Simulation completed successfully. (00:02:32) |
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 | -1.2721 | |
2 | V | A | -0.5041 | |
3 | Q | A | -0.9721 | |
4 | L | A | 0.0000 | |
5 | V | A | 0.5775 | |
6 | Q | A | 0.0000 | |
7 | S | A | -0.5470 | |
8 | G | A | -0.6029 | |
9 | A | A | -0.0984 | |
10 | E | A | -0.2289 | |
11 | V | A | 0.8276 | |
12 | K | A | -0.9789 | |
13 | K | A | -2.1834 | |
14 | P | A | -2.2813 | |
15 | G | A | -1.5466 | |
16 | A | A | -1.2175 | |
17 | S | A | -1.3675 | |
18 | V | A | 0.0000 | |
19 | K | A | -2.1156 | |
20 | V | A | 0.0000 | |
21 | S | A | -0.6112 | |
22 | C | A | 0.0000 | |
23 | K | A | -0.4855 | |
24 | A | A | 0.0000 | |
25 | S | A | -0.4726 | |
26 | G | A | -0.7435 | |
27 | Y | A | -0.2160 | |
28 | T | A | -0.0136 | |
29 | F | A | 0.0000 | |
30 | T | A | -0.5658 | |
31 | S | A | -0.1792 | |
32 | Y | A | -0.1705 | |
33 | D | A | 0.0000 | |
34 | I | A | 0.0000 | |
35 | N | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | -0.4336 | |
39 | Q | A | -0.6655 | |
40 | A | A | -0.9329 | |
41 | T | A | -0.6850 | |
42 | G | A | -1.1373 | |
43 | Q | A | -1.7040 | |
44 | G | A | -1.1038 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.6542 | |
47 | W | A | 0.0000 | |
48 | M | A | 0.0000 | |
49 | G | A | 0.0000 | |
50 | W | A | 0.0000 | |
51 | M | A | 0.0000 | |
52 | N | A | 0.0000 | |
53 | P | A | 0.0000 | |
54 | N | A | -1.4660 | |
55 | S | A | -1.2003 | |
56 | G | A | -1.2979 | |
57 | N | A | -1.6266 | |
58 | T | A | -0.7235 | |
59 | G | A | -0.5727 | |
60 | Y | A | -0.6079 | |
61 | A | A | 0.0000 | |
62 | Q | A | -1.9729 | |
63 | K | A | -2.4732 | |
64 | F | A | 0.0000 | |
65 | Q | A | -2.2292 | |
66 | G | A | -1.5861 | |
67 | R | A | -1.4129 | |
68 | V | A | 0.0000 | |
69 | T | A | -0.8022 | |
70 | M | A | 0.0000 | |
71 | T | A | -0.7119 | |
72 | R | A | -0.9741 | |
73 | N | A | -0.8474 | |
74 | T | A | -0.4121 | |
75 | S | A | 0.1110 | |
76 | I | A | 0.7214 | |
77 | S | A | -0.0507 | |
78 | T | A | 0.0000 | |
79 | A | A | 0.0000 | |
80 | Y | A | -0.8268 | |
81 | M | A | 0.0000 | |
82 | E | A | -1.5721 | |
83 | L | A | 0.0000 | |
84 | S | A | -1.1458 | |
85 | S | A | -1.1984 | |
86 | L | A | 0.0000 | |
87 | R | A | -3.0880 | |
88 | S | A | -2.4163 | |
89 | E | A | -2.5359 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.8960 | |
92 | A | A | 0.0000 | |
93 | V | A | 0.1167 | |
94 | Y | A | 0.0000 | |
95 | Y | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | R | A | -0.3124 | |
99 | G | A | 0.0000 | |
100 | I | A | 0.0000 | |
101 | E | A | 0.0881 | |
102 | L | A | 0.0000 | |
103 | Y | A | 0.9197 | |
104 | Y | A | 0.7065 | |
105 | D | A | -0.5992 | |
106 | F | A | 0.5755 | |
107 | W | A | 1.0517 | |
108 | S | A | 0.1833 | |
109 | G | A | -0.2028 | |
110 | Y | A | -0.4926 | |
111 | S | A | -0.8726 | |
112 | N | A | -1.6001 | |
113 | R | A | -1.7537 | |
114 | A | A | 0.0000 | |
115 | D | A | 0.0000 | |
116 | L | A | 0.0174 | |
117 | Y | A | 0.0000 | |
118 | Y | A | 0.6868 | |
119 | Y | A | 0.0000 | |
120 | Y | A | 0.2616 | |
121 | G | A | 0.0000 | |
122 | M | A | 0.0000 | |
123 | D | A | -0.6701 | |
124 | V | A | -0.4735 | |
125 | W | A | -0.4950 | |
126 | G | A | 0.0000 | |
127 | Q | A | -1.2016 | |
128 | G | A | -0.6142 | |
129 | T | A | 0.0000 | |
130 | T | A | -0.0287 | |
131 | V | A | 0.0000 | |
132 | T | A | -0.3670 | |
133 | V | A | 0.0000 | |
134 | S | A | -1.1871 | |
135 | S | A | -0.9792 | |
1 | D | B | -1.5356 | |
2 | I | B | 0.0000 | |
3 | V | B | 0.7776 | |
4 | M | B | 0.0000 | |
5 | T | B | -0.7258 | |
6 | Q | B | -1.4258 | |
7 | S | B | -1.4618 | |
8 | P | B | -1.4544 | |
9 | D | B | -2.3522 | |
10 | S | B | -1.6874 | |
11 | L | B | -1.0040 | |
12 | A | B | -0.7050 | |
13 | V | B | -0.9859 | |
14 | S | B | -0.8458 | |
15 | L | B | 0.0615 | |
16 | G | B | -1.1014 | |
17 | E | B | -2.5038 | |
18 | R | B | -2.7857 | |
19 | A | B | 0.0000 | |
20 | T | B | -0.6554 | |
21 | I | B | 0.0000 | |
22 | N | B | -1.5470 | |
23 | C | B | 0.0000 | |
24 | K | B | -1.9836 | |
25 | S | B | 0.0000 | |
26 | S | B | -0.9072 | |
27 | Q | B | -1.4889 | |
28 | S | B | -0.9283 | |
29 | V | B | 0.0000 | |
30 | L | B | -0.4036 | |
31 | Y | B | -0.5709 | |
32 | S | B | -0.9404 | |
33 | S | B | -1.0401 | |
34 | N | B | -1.6484 | |
35 | N | B | -1.9869 | |
36 | K | B | -1.5021 | |
37 | N | B | -0.6854 | |
38 | Y | B | 0.0000 | |
39 | L | B | 0.0000 | |
40 | A | B | 0.0000 | |
41 | W | B | 0.0000 | |
42 | Y | B | 0.0000 | |
43 | Q | B | 0.0000 | |
44 | Q | B | 0.0000 | |
45 | K | B | -1.7518 | |
46 | P | B | -1.1146 | |
47 | G | B | -1.5012 | |
48 | Q | B | -2.1664 | |
49 | P | B | -1.4768 | |
50 | P | B | 0.0000 | |
51 | K | B | -1.6920 | |
52 | L | B | 0.0000 | |
53 | L | B | 0.0000 | |
54 | I | B | 0.0000 | |
55 | Y | B | -0.1801 | |
56 | W | B | -0.3035 | |
57 | A | B | 0.0000 | |
58 | S | B | -0.6901 | |
59 | T | B | -0.5542 | |
60 | R | B | -1.4410 | |
61 | E | B | -1.2675 | |
62 | S | B | -0.8490 | |
63 | G | B | -1.0263 | |
64 | V | B | 0.0000 | |
65 | P | B | -1.4041 | |
66 | D | B | -2.2882 | |
67 | R | B | -1.6138 | |
68 | F | B | 0.0000 | |
69 | S | B | -0.9809 | |
70 | G | B | -0.5703 | |
71 | S | B | -0.7866 | |
72 | G | B | -1.2111 | |
73 | S | B | -1.1395 | |
74 | G | B | -1.0718 | |
75 | T | B | -1.4981 | |
76 | D | B | -2.2085 | |
77 | F | B | 0.0000 | |
78 | T | B | -0.9935 | |
79 | L | B | 0.0000 | |
80 | T | B | -0.7115 | |
81 | I | B | 0.0000 | |
82 | S | B | -1.8871 | |
83 | S | B | -1.7233 | |
84 | L | B | 0.0000 | |
85 | Q | B | -0.9988 | |
86 | A | B | -0.7304 | |
87 | E | B | -1.8136 | |
88 | D | B | 0.0000 | |
89 | V | B | -0.8665 | |
90 | A | B | 0.0000 | |
91 | V | B | -0.9175 | |
92 | Y | B | 0.0000 | |
93 | Y | B | 0.0000 | |
94 | C | B | 0.0000 | |
95 | Q | B | 0.0000 | |
96 | Q | B | 0.0000 | |
97 | Y | B | 0.0000 | |
98 | Y | B | -0.1092 | |
99 | S | B | -0.8035 | |
100 | T | B | -0.8046 | |
101 | P | B | -0.5983 | |
102 | L | B | 0.0000 | |
103 | T | B | 0.0587 | |
104 | F | B | 0.2351 | |
105 | G | B | 0.0000 | |
106 | G | B | -1.0190 | |
107 | G | B | -1.1781 | |
108 | T | B | 0.0000 | |
109 | K | B | -1.8813 | |
110 | V | B | 0.0000 | |
111 | E | B | -1.5411 | |
112 | I | B | -0.7902 | |
113 | K | B | -1.4016 |