Chain sequence(s) |
A: QVHLVQSGPEVTNPGASVKVSCKTSGYTFTSYSITWVRQTPGQGPEWVGSINLHNFQTDYAQKFQGRVTVTADTSTTTAYMDLSSLTSDDTAIYFCARDWAEDGYKSLDQWGRGTLVTVST
B: IVMTQSPDSLSVSLGARATITCKSSQSLLYTANNRHYLSWYLHKPGQAPKLLLFWATSRESGVSERISGSAAGTDFTLTITNVQIDDVGVYFCQQYFSAPRTFGQGTRLEIK 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 (00:01:59) [INFO] Main: Simulation completed successfully. (00:02:00) |
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 | -1.4068 | |
2 | V | A | -0.8184 | |
3 | H | A | -1.3121 | |
4 | L | A | 0.0000 | |
5 | V | A | 0.5009 | |
6 | Q | A | -0.3209 | |
7 | S | A | -0.6658 | |
8 | G | A | -0.5025 | |
9 | P | A | -0.1116 | |
10 | E | A | -0.2304 | |
11 | V | A | 1.1295 | |
12 | T | A | -0.1916 | |
13 | N | A | -1.2632 | |
14 | P | A | -1.3758 | |
15 | G | A | -1.0367 | |
16 | A | A | -0.8317 | |
17 | S | A | -1.1423 | |
18 | V | A | 0.0000 | |
19 | K | A | -2.0595 | |
20 | V | A | 0.0000 | |
21 | S | A | -0.6048 | |
22 | C | A | 0.0000 | |
23 | K | A | -1.1109 | |
24 | T | A | 0.0000 | |
25 | S | A | -0.7926 | |
26 | G | A | -0.8260 | |
27 | Y | A | -0.3015 | |
28 | T | A | -0.0775 | |
29 | F | A | 0.0000 | |
30 | T | A | -0.5213 | |
31 | S | A | -0.5438 | |
32 | Y | A | -0.3091 | |
33 | S | A | -0.4666 | |
34 | I | A | 0.0000 | |
35 | T | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | 0.0000 | |
39 | Q | A | -0.5403 | |
40 | T | A | -0.8735 | |
41 | P | A | -0.8658 | |
42 | G | A | -1.3762 | |
43 | Q | A | -1.9035 | |
44 | G | A | -1.4163 | |
45 | P | A | 0.0000 | |
46 | E | A | -0.8681 | |
47 | W | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | G | A | 0.0000 | |
50 | S | A | -0.5962 | |
51 | I | A | 0.0000 | |
52 | N | A | -1.2438 | |
53 | L | A | 0.0000 | |
54 | H | A | -1.6306 | |
55 | N | A | -1.7178 | |
56 | F | A | -0.4990 | |
57 | Q | A | -1.6509 | |
58 | T | A | -1.2562 | |
59 | D | A | -1.9487 | |
60 | Y | A | -1.5476 | |
61 | A | A | 0.0000 | |
62 | Q | A | -2.6855 | |
63 | K | A | -2.7541 | |
64 | F | A | 0.0000 | |
65 | Q | A | -2.6165 | |
66 | G | A | -1.6634 | |
67 | R | A | -1.5169 | |
68 | V | A | 0.0000 | |
69 | T | A | -0.9146 | |
70 | V | A | 0.0000 | |
71 | T | A | -0.1888 | |
72 | A | A | -0.3429 | |
73 | D | A | -0.9281 | |
74 | T | A | -0.5194 | |
75 | S | A | -0.4763 | |
76 | T | A | -0.6607 | |
77 | T | A | -0.7388 | |
78 | T | A | 0.0000 | |
79 | A | A | 0.0000 | |
80 | Y | A | -0.6304 | |
81 | M | A | 0.0000 | |
82 | D | A | -1.3563 | |
83 | L | A | 0.0000 | |
84 | S | A | -0.9636 | |
85 | S | A | -0.8315 | |
86 | L | A | 0.0000 | |
87 | T | A | -1.2261 | |
88 | S | A | -1.3736 | |
89 | D | A | -1.9028 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.3180 | |
92 | A | A | 0.0000 | |
93 | I | A | 0.5856 | |
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 | D | A | 0.0000 | |
100 | W | A | -0.4751 | |
101 | A | A | -1.4567 | |
102 | E | A | -2.8382 | |
103 | D | A | -2.9685 | |
104 | G | A | -1.7634 | |
105 | Y | A | 0.0000 | |
106 | K | A | -1.4239 | |
107 | S | A | 0.0000 | |
108 | L | A | 0.0000 | |
109 | D | A | -0.7078 | |
110 | Q | A | -1.0124 | |
111 | W | A | 0.0000 | |
112 | G | A | 0.0000 | |
113 | R | A | -2.1288 | |
114 | G | A | -0.7295 | |
115 | T | A | 0.0000 | |
116 | L | A | 0.8508 | |
117 | V | A | 0.0000 | |
118 | T | A | 0.2028 | |
119 | V | A | 0.0000 | |
120 | S | A | -0.3234 | |
121 | T | A | -0.5446 | |
1 | I | B | 1.0645 | |
2 | V | B | 1.6488 | |
3 | M | B | 0.0000 | |
4 | T | B | -0.2087 | |
5 | Q | B | 0.0000 | |
6 | S | B | -1.2176 | |
7 | P | B | -1.4484 | |
8 | D | B | -2.5292 | |
9 | S | B | -2.0028 | |
10 | L | B | -1.2927 | |
11 | S | B | -1.1487 | |
12 | V | B | 0.0000 | |
13 | S | B | -0.5349 | |
14 | L | B | 0.4739 | |
15 | G | B | -0.5975 | |
16 | A | B | -1.1367 | |
17 | R | B | -2.2072 | |
18 | A | B | 0.0000 | |
19 | T | B | -0.5098 | |
20 | I | B | 0.0000 | |
21 | T | B | -0.5210 | |
22 | C | B | 0.0000 | |
23 | K | B | -1.1149 | |
24 | S | B | 0.0000 | |
25 | S | B | -0.1869 | |
26 | Q | B | -0.7223 | |
27 | S | B | -0.5014 | |
28 | L | B | 0.0000 | |
29 | L | B | -0.0136 | |
30 | Y | B | 0.3107 | |
31 | T | B | -0.3462 | |
32 | A | B | -0.3957 | |
33 | N | B | -1.3694 | |
34 | N | B | -1.6643 | |
35 | R | B | -1.4098 | |
36 | H | B | -0.5842 | |
37 | Y | B | 0.0000 | |
38 | L | B | 0.0000 | |
39 | S | B | 0.0000 | |
40 | W | B | 0.0000 | |
41 | Y | B | 0.0000 | |
42 | L | B | 0.0000 | |
43 | H | B | -1.1648 | |
44 | K | B | -1.5951 | |
45 | P | B | -1.1390 | |
46 | G | B | -1.5731 | |
47 | Q | B | -2.0751 | |
48 | A | B | -1.8727 | |
49 | P | B | 0.0000 | |
50 | K | B | -1.4700 | |
51 | L | B | 0.0000 | |
52 | L | B | 0.0000 | |
53 | L | B | 0.0000 | |
54 | F | B | -0.3394 | |
55 | W | B | 0.0000 | |
56 | A | B | 0.0000 | |
57 | T | B | -0.5462 | |
58 | S | B | -0.5784 | |
59 | R | B | -1.3892 | |
60 | E | B | -1.0697 | |
61 | S | B | -0.7907 | |
62 | G | B | -0.9469 | |
63 | V | B | -1.0466 | |
64 | S | B | -1.2880 | |
65 | E | B | -2.1570 | |
66 | R | B | -1.7552 | |
67 | I | B | 0.0000 | |
68 | S | B | -0.8411 | |
69 | G | B | -0.3737 | |
70 | S | B | -0.4687 | |
71 | A | B | -0.6911 | |
72 | A | B | -0.6894 | |
73 | G | B | -0.9510 | |
74 | T | B | -1.2059 | |
75 | D | B | -1.6364 | |
76 | F | B | 0.0000 | |
77 | T | B | -0.5023 | |
78 | L | B | 0.0000 | |
79 | T | B | -0.5676 | |
80 | I | B | 0.0000 | |
81 | T | B | -1.7430 | |
82 | N | B | -1.8388 | |
83 | V | B | 0.0000 | |
84 | Q | B | -0.5309 | |
85 | I | B | 1.0166 | |
86 | D | B | -0.9262 | |
87 | D | B | 0.0000 | |
88 | V | B | -0.4566 | |
89 | G | B | 0.0000 | |
90 | V | B | -1.0566 | |
91 | Y | B | 0.0000 | |
92 | F | B | 0.0000 | |
93 | C | B | 0.0000 | |
94 | Q | B | 0.0000 | |
95 | Q | B | 0.0000 | |
96 | Y | B | 0.0000 | |
97 | F | B | 0.3173 | |
98 | S | B | 0.1407 | |
99 | A | B | -0.2086 | |
100 | P | B | -0.5472 | |
101 | R | B | 0.0735 | |
102 | T | B | 0.2519 | |
103 | F | B | 0.0000 | |
104 | G | B | 0.0000 | |
105 | Q | B | -1.9736 | |
106 | G | B | -1.6318 | |
107 | T | B | 0.0000 | |
108 | R | B | -2.6577 | |
109 | L | B | 0.0000 | |
110 | E | B | -1.6064 | |
111 | I | B | -0.6923 | |
112 | K | B | -1.6790 |