Chain sequence(s) |
A: QVQLQESGSGLLKPSQTLSLTCAVSGASISSTNYYWTWIRHHSGKGLEWIGHIYDSGRTQYNPSLKSRVTISVDTSKNQFSLNLRSLTAADTAMYYCARYRRKYCSGGSCHSWRVGYLYYGLDVWGQGTTVTVSS
B: SYELTQPPSVSVSPGQTARITCSGDTLSNQFAFWYQQRPGQAPILIIYQDNERPSGIPERFSGSSSGAIVTLTISGVQAEDEADYYCQSTDNSDYLVFGAGTKLTVL 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 (00:01:46) [INFO] Main: Simulation completed successfully. (00:01:47) |
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 | -1.5609 | |
2 | V | A | -1.2470 | |
3 | Q | A | -1.9246 | |
4 | L | A | 0.0000 | |
5 | Q | A | -1.8527 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.8479 | |
8 | G | A | -0.6017 | |
9 | S | A | -0.3001 | |
10 | G | A | 0.3019 | |
11 | L | A | 1.1573 | |
12 | L | A | 0.0629 | |
13 | K | A | -1.0199 | |
14 | P | A | -1.1066 | |
15 | S | A | -1.1629 | |
16 | Q | A | -1.5066 | |
17 | T | A | -1.1384 | |
18 | L | A | 0.0000 | |
19 | S | A | -0.7205 | |
20 | L | A | 0.0000 | |
21 | T | A | -0.6124 | |
22 | C | A | 0.0000 | |
23 | A | A | -1.2015 | |
24 | V | A | 0.0000 | |
25 | S | A | -1.2606 | |
26 | G | A | -1.2300 | |
27 | A | A | -0.7423 | |
28 | S | A | -0.4524 | |
29 | I | A | 0.0000 | |
30 | S | A | -0.6747 | |
31 | S | A | -0.4168 | |
32 | T | A | -0.6054 | |
33 | N | A | -0.5402 | |
34 | Y | A | -0.4578 | |
35 | Y | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | T | A | 0.0000 | |
38 | W | A | 0.0000 | |
39 | I | A | 0.0000 | |
40 | R | A | 0.0000 | |
41 | H | A | -0.9256 | |
42 | H | A | -1.2213 | |
43 | S | A | -1.1636 | |
44 | G | A | -1.5253 | |
45 | K | A | -2.2404 | |
46 | G | A | 0.0000 | |
47 | L | A | 0.0000 | |
48 | E | A | -0.9653 | |
49 | W | A | 0.0000 | |
50 | I | A | 0.0000 | |
51 | G | A | 0.0000 | |
52 | H | A | 0.0000 | |
53 | I | A | 0.0000 | |
54 | Y | A | -1.1683 | |
55 | D | A | -1.7737 | |
56 | S | A | -1.4284 | |
57 | G | A | -1.7208 | |
58 | R | A | -2.4074 | |
59 | T | A | -1.2928 | |
60 | Q | A | -0.9202 | |
61 | Y | A | -0.6228 | |
62 | N | A | -0.5838 | |
63 | P | A | -0.6785 | |
64 | S | A | -0.8120 | |
65 | L | A | 0.0000 | |
66 | K | A | -2.0069 | |
67 | S | A | -1.3523 | |
68 | R | A | -1.3267 | |
69 | V | A | 0.0000 | |
70 | T | A | -0.7162 | |
71 | I | A | 0.0000 | |
72 | S | A | -0.5563 | |
73 | V | A | -0.6818 | |
74 | D | A | -1.3071 | |
75 | T | A | -1.1810 | |
76 | S | A | -1.3537 | |
77 | K | A | -2.1757 | |
78 | N | A | -1.5821 | |
79 | Q | A | -1.3335 | |
80 | F | A | 0.0000 | |
81 | S | A | -0.3308 | |
82 | L | A | 0.0000 | |
83 | N | A | -0.7231 | |
84 | L | A | 0.0000 | |
85 | R | A | -1.3195 | |
86 | S | A | -1.1365 | |
87 | L | A | 0.0000 | |
88 | T | A | -0.5469 | |
89 | A | A | -0.1707 | |
90 | A | A | -0.0115 | |
91 | D | A | 0.0000 | |
92 | T | A | 0.1137 | |
93 | A | A | 0.0000 | |
94 | M | A | -0.1542 | |
95 | Y | A | 0.0000 | |
96 | Y | A | 0.0000 | |
97 | C | A | 0.0000 | |
98 | A | A | 0.0000 | |
99 | R | A | 0.0000 | |
100 | Y | A | 0.0000 | |
101 | R | A | -0.6952 | |
102 | R | A | -0.4821 | |
103 | K | A | -0.4987 | |
104 | Y | A | 1.0698 | |
105 | C | A | 0.4136 | |
106 | S | A | -0.0588 | |
107 | G | A | -0.9231 | |
108 | G | A | -0.9595 | |
109 | S | A | -0.7838 | |
110 | C | A | -0.2223 | |
111 | H | A | -0.7749 | |
112 | S | A | 0.0299 | |
113 | W | A | 0.4400 | |
114 | R | A | 0.7488 | |
115 | V | A | 1.8615 | |
116 | G | A | 0.9893 | |
117 | Y | A | 0.8135 | |
118 | L | A | 0.2164 | |
119 | Y | A | 0.0000 | |
120 | Y | A | -0.3297 | |
121 | G | A | 0.0000 | |
122 | L | A | 0.0000 | |
123 | D | A | -0.0071 | |
124 | V | A | -0.1818 | |
125 | W | A | -0.2713 | |
126 | G | A | 0.0000 | |
127 | Q | A | -1.8872 | |
128 | G | A | -1.1232 | |
129 | T | A | 0.0000 | |
130 | T | A | -0.0223 | |
131 | V | A | 0.0000 | |
132 | T | A | 0.3336 | |
133 | V | A | 0.0000 | |
134 | S | A | -0.1863 | |
135 | S | A | -0.4187 | |
1 | S | B | -0.7112 | |
2 | Y | B | 0.1571 | |
3 | E | B | -1.4868 | |
4 | L | B | 0.0000 | |
5 | T | B | -0.4584 | |
6 | Q | B | 0.0000 | |
7 | P | B | -0.3925 | |
8 | P | B | -0.7009 | |
9 | S | B | -0.7874 | |
10 | V | B | -0.6162 | |
11 | S | B | -0.2404 | |
12 | V | B | 0.0000 | |
13 | S | B | -0.1863 | |
14 | P | B | -0.9243 | |
15 | G | B | -1.4048 | |
16 | Q | B | -1.6951 | |
17 | T | B | -1.4278 | |
18 | A | B | 0.0000 | |
19 | R | B | -1.8880 | |
20 | I | B | 0.0000 | |
21 | T | B | -0.3128 | |
22 | C | B | 0.0000 | |
23 | S | B | -0.3889 | |
24 | G | B | -1.0684 | |
25 | D | B | -2.3593 | |
26 | T | B | 0.0000 | |
27 | L | B | 0.0000 | |
28 | S | B | -1.3062 | |
29 | N | B | -1.7730 | |
30 | Q | B | -1.2403 | |
31 | F | B | 0.0000 | |
32 | A | B | 0.0000 | |
33 | F | B | 0.0000 | |
34 | W | B | 0.0000 | |
35 | Y | B | 0.0000 | |
36 | Q | B | 0.0000 | |
37 | Q | B | -1.1513 | |
38 | R | B | -2.1661 | |
39 | P | B | -1.5644 | |
40 | G | B | -1.5516 | |
41 | Q | B | -1.9132 | |
42 | A | B | -0.9212 | |
43 | P | B | 0.0000 | |
44 | I | B | 1.1309 | |
45 | L | B | 0.0000 | |
46 | I | B | 0.0000 | |
47 | I | B | 0.0000 | |
48 | Y | B | -0.5644 | |
49 | Q | B | 0.0000 | |
50 | D | B | 0.0000 | |
51 | N | B | -1.8384 | |
52 | E | B | -1.5878 | |
53 | R | B | -1.6927 | |
54 | P | B | -1.0150 | |
55 | S | B | -0.8341 | |
56 | G | B | -0.8375 | |
57 | I | B | -0.6449 | |
58 | P | B | -1.2898 | |
59 | E | B | -2.2121 | |
60 | R | B | -1.3561 | |
61 | F | B | 0.0000 | |
62 | S | B | -1.4223 | |
63 | G | B | -1.1766 | |
64 | S | B | -0.6769 | |
65 | S | B | -0.4217 | |
66 | S | B | -0.2200 | |
67 | G | B | -0.7852 | |
68 | A | B | -0.6206 | |
69 | I | B | 0.5336 | |
70 | V | B | 0.0000 | |
71 | T | B | -0.5310 | |
72 | L | B | 0.0000 | |
73 | T | B | -0.9407 | |
74 | I | B | 0.0000 | |
75 | S | B | -1.3868 | |
76 | G | B | -1.1301 | |
77 | V | B | 0.0000 | |
78 | Q | B | -1.7805 | |
79 | A | B | -1.2952 | |
80 | E | B | -2.4636 | |
81 | D | B | 0.0000 | |
82 | E | B | -2.1736 | |
83 | A | B | 0.0000 | |
84 | D | B | -1.7240 | |
85 | Y | B | 0.0000 | |
86 | Y | B | 0.0000 | |
87 | C | B | 0.0000 | |
88 | Q | B | 0.0000 | |
89 | S | B | 0.0000 | |
90 | T | B | 0.0000 | |
91 | D | B | 0.0000 | |
92 | N | B | -1.8541 | |
93 | S | B | -1.0623 | |
94 | D | B | -1.3364 | |
95 | Y | B | -0.2933 | |
96 | L | B | 0.0000 | |
97 | V | B | 0.0000 | |
98 | F | B | 0.0000 | |
99 | G | B | 0.0000 | |
100 | A | B | -1.0580 | |
101 | G | B | -0.8961 | |
102 | T | B | 0.0000 | |
103 | K | B | -1.8705 | |
104 | L | B | 0.0000 | |
105 | T | B | -0.3224 | |
106 | V | B | -0.1347 | |
107 | L | B | 1.3978 |