Chain sequence(s) |
A: QAQMVQSGAEVKEPGASVKVSCEAFGYTFTHYYVHWVRQAPGLGLEWMGRIVPSRGDTKYGQRFQGRITMSTDNSIKTAYLELTGVTPDDTAVYFCGRGVQSFDAWGQGTLVIVSS
B: DIQMTQSPSSLSASVGDRVIITCRTSQAIGNDLAWYQQQPGKAPKRLMYATSTLDRGVPSRFGGSGSGTEFTLTIANLQPEDFATYYCLHYNTFPYAFGQGTNLE 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 (00:01:57) [INFO] Main: Simulation completed successfully. (00:01:58) |
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 | -1.4282 | |
2 | A | A | -1.0740 | |
3 | Q | A | -1.2005 | |
4 | M | A | 0.0000 | |
5 | V | A | 0.1673 | |
6 | Q | A | 0.0000 | |
7 | S | A | -0.6113 | |
8 | G | A | -0.6096 | |
9 | A | A | 0.1471 | |
10 | E | A | -0.1452 | |
11 | V | A | 1.1186 | |
12 | K | A | -0.5917 | |
13 | E | A | -1.8594 | |
14 | P | A | -1.6809 | |
15 | G | A | -1.2430 | |
16 | A | A | -1.0302 | |
17 | S | A | -1.2058 | |
18 | V | A | 0.0000 | |
19 | K | A | -2.1042 | |
20 | V | A | 0.0000 | |
21 | S | A | -0.5754 | |
22 | C | A | 0.0000 | |
23 | E | A | -0.6200 | |
24 | A | A | 0.0000 | |
25 | F | A | -0.1199 | |
26 | G | A | -0.6513 | |
27 | Y | A | -0.4480 | |
28 | T | A | -0.3247 | |
29 | F | A | 0.0000 | |
30 | T | A | -0.9668 | |
31 | H | A | -0.7308 | |
32 | Y | A | 0.0415 | |
33 | Y | A | -0.0841 | |
34 | V | A | 0.0000 | |
35 | H | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | 0.0000 | |
39 | Q | A | 0.2461 | |
40 | A | A | 0.1137 | |
41 | P | A | 0.1140 | |
42 | G | A | 0.0853 | |
43 | L | A | 0.9213 | |
44 | G | A | 0.0244 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.3167 | |
47 | W | A | 0.0000 | |
48 | M | A | 0.0000 | |
49 | G | A | 0.0000 | |
50 | R | A | 0.0000 | |
51 | I | A | 0.0000 | |
52 | V | A | 0.0000 | |
53 | P | A | 0.0000 | |
54 | S | A | -1.5825 | |
55 | R | A | -2.4147 | |
56 | G | A | -1.8862 | |
57 | D | A | -1.7624 | |
58 | T | A | -0.9888 | |
59 | K | A | -0.7900 | |
60 | Y | A | -0.8335 | |
61 | G | A | 0.0000 | |
62 | Q | A | -2.7443 | |
63 | R | A | -2.8483 | |
64 | F | A | 0.0000 | |
65 | Q | A | -2.5184 | |
66 | G | A | -1.6646 | |
67 | R | A | -1.4695 | |
68 | I | A | 0.0000 | |
69 | T | A | -0.8368 | |
70 | M | A | 0.0000 | |
71 | S | A | -0.5906 | |
72 | T | A | -0.9708 | |
73 | D | A | -1.1160 | |
74 | N | A | -1.1372 | |
75 | S | A | -0.2958 | |
76 | I | A | 0.4018 | |
77 | K | A | -0.8075 | |
78 | T | A | 0.0000 | |
79 | A | A | 0.0000 | |
80 | Y | A | -0.6119 | |
81 | L | A | 0.0000 | |
82 | E | A | -1.4942 | |
83 | L | A | 0.0000 | |
84 | T | A | -0.9582 | |
85 | G | A | -0.9123 | |
86 | V | A | 0.0000 | |
87 | T | A | -1.3374 | |
88 | P | A | -1.4216 | |
89 | D | A | -1.8582 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.1304 | |
92 | A | A | 0.0000 | |
93 | V | A | 0.6449 | |
94 | Y | A | 0.0000 | |
95 | F | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | G | A | 0.0000 | |
98 | R | A | -0.3630 | |
99 | G | A | 0.0000 | |
100 | V | A | 0.4687 | |
101 | Q | A | -0.4203 | |
102 | S | A | 0.0000 | |
103 | F | A | 0.0000 | |
104 | D | A | -1.0812 | |
105 | A | A | -1.2138 | |
106 | W | A | -0.8193 | |
107 | G | A | 0.0000 | |
108 | Q | A | -1.4043 | |
109 | G | A | -0.5614 | |
110 | T | A | 0.0000 | |
111 | L | A | 0.8390 | |
112 | V | A | 0.0000 | |
113 | I | A | 0.7042 | |
114 | V | A | 0.0000 | |
115 | S | A | -0.6976 | |
116 | S | A | -0.8594 | |
1 | D | B | -2.2114 | |
2 | I | B | -1.5922 | |
3 | Q | B | -1.9841 | |
4 | M | B | 0.0000 | |
5 | T | B | -1.1524 | |
6 | Q | B | 0.0000 | |
7 | S | B | -0.3902 | |
8 | P | B | -0.2559 | |
9 | S | B | -0.7342 | |
10 | S | B | -0.8463 | |
11 | L | B | -0.4048 | |
12 | S | B | -0.8783 | |
13 | A | B | -0.6458 | |
14 | S | B | -0.4259 | |
15 | V | B | 0.3663 | |
16 | G | B | -1.0508 | |
17 | D | B | -1.6572 | |
18 | R | B | -2.0877 | |
19 | V | B | 0.0000 | |
20 | I | B | 1.4063 | |
21 | I | B | 0.0000 | |
22 | T | B | -0.1752 | |
23 | C | B | 0.0000 | |
24 | R | B | -1.9769 | |
25 | T | B | 0.0000 | |
26 | S | B | -1.7658 | |
27 | Q | B | -2.0695 | |
28 | A | B | -1.3289 | |
29 | I | B | 0.0000 | |
30 | G | B | -1.4809 | |
31 | N | B | -1.7361 | |
32 | D | B | -1.4097 | |
33 | L | B | 0.0000 | |
34 | A | B | 0.0000 | |
35 | W | B | 0.0000 | |
36 | Y | B | 0.0000 | |
37 | Q | B | 0.0000 | |
38 | Q | B | 0.0000 | |
39 | Q | B | -1.6003 | |
40 | P | B | -1.2175 | |
41 | G | B | -1.6655 | |
42 | K | B | -2.5995 | |
43 | A | B | -1.7105 | |
44 | P | B | 0.0000 | |
45 | K | B | -2.2340 | |
46 | R | B | -1.3500 | |
47 | L | B | 0.0000 | |
48 | M | B | 0.0000 | |
49 | Y | B | -0.1225 | |
50 | A | B | -0.5055 | |
51 | T | B | 0.0000 | |
52 | S | B | -0.4641 | |
53 | T | B | -0.1966 | |
54 | L | B | -0.3952 | |
55 | D | B | -1.3557 | |
56 | R | B | -2.0868 | |
57 | G | B | -1.3266 | |
58 | V | B | -0.7479 | |
59 | P | B | -0.5763 | |
60 | S | B | -0.5483 | |
61 | R | B | -1.0447 | |
62 | F | B | 0.0000 | |
63 | G | B | -0.1595 | |
64 | G | B | -0.1145 | |
65 | S | B | -0.8277 | |
66 | G | B | -1.2434 | |
67 | S | B | -1.4185 | |
68 | G | B | -1.4150 | |
69 | T | B | -1.6811 | |
70 | E | B | -2.2349 | |
71 | F | B | 0.0000 | |
72 | T | B | -0.2506 | |
73 | L | B | 0.0000 | |
74 | T | B | 0.0396 | |
75 | I | B | 0.0000 | |
76 | A | B | -1.5197 | |
77 | N | B | -2.1498 | |
78 | L | B | 0.0000 | |
79 | Q | B | -1.1025 | |
80 | P | B | -0.8116 | |
81 | E | B | -1.6602 | |
82 | D | B | 0.0000 | |
83 | F | B | -0.7393 | |
84 | A | B | 0.0000 | |
85 | T | B | -0.6653 | |
86 | Y | B | 0.0000 | |
87 | Y | B | 0.0000 | |
88 | C | B | 0.0000 | |
89 | L | B | 0.0000 | |
90 | H | B | 0.0000 | |
91 | Y | B | 0.0000 | |
92 | N | B | -1.1389 | |
93 | T | B | -0.3939 | |
94 | F | B | 0.0481 | |
95 | P | B | -0.3536 | |
96 | Y | B | 0.0000 | |
97 | A | B | -0.5974 | |
98 | F | B | 0.0000 | |
99 | G | B | 0.0000 | |
100 | Q | B | -1.1982 | |
101 | G | B | 0.0000 | |
102 | T | B | 0.0000 | |
103 | N | B | -1.3505 | |
104 | L | B | 0.0000 | |
105 | E | B | -1.9064 |