Chain sequence(s) |
A: QVQLVESGGGVVQPGRSLRLSCGATGFNFGDSVMHWVRQAPGLGLEWVATITSDGGMTDYVDSVRGRFTLARDNSRNTLHLQMTGLRAEDSAVYYCVNDRNRLPGDQGHASYVMDVWGLGTTVIVSS
B: SVLTQPPSVSATAGQKASISCSGSPSAFGTAFVSWYQQFPGEAPRLVIYDTFERPSGIPDRFSGSWSASSATLDITTVQVGDEGDYYCGTWDSRLRLWVFGGGTKLTVL 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 (00:01:20) [INFO] Main: Simulation completed successfully. (00:01:22) |
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 | -1.3258 | |
2 | V | A | -0.7766 | |
3 | Q | A | -0.7286 | |
4 | L | A | 0.0000 | |
5 | V | A | 1.4517 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.3144 | |
8 | G | A | -0.9513 | |
9 | G | A | -0.1289 | |
10 | G | A | 0.6783 | |
11 | V | A | 1.8131 | |
12 | V | A | 0.0247 | |
13 | Q | A | -1.4596 | |
14 | P | A | -1.8111 | |
15 | G | A | -2.0102 | |
16 | R | A | -2.4105 | |
17 | S | A | -1.6530 | |
18 | L | A | -0.9344 | |
19 | R | A | -1.8034 | |
20 | L | A | 0.0000 | |
21 | S | A | -0.5100 | |
22 | C | A | 0.0000 | |
23 | G | A | -0.3266 | |
24 | A | A | 0.0000 | |
25 | T | A | -0.7023 | |
26 | G | A | -0.9618 | |
27 | F | A | -0.9972 | |
28 | N | A | -1.8229 | |
29 | F | A | 0.0000 | |
30 | G | A | -2.4759 | |
31 | D | A | -2.6373 | |
32 | S | A | 0.0000 | |
33 | V | A | -0.6268 | |
34 | M | 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 | 0.0119 | |
40 | A | A | -0.0410 | |
41 | P | A | 0.0292 | |
42 | G | A | 0.1077 | |
43 | L | A | 0.9599 | |
44 | G | A | -0.0148 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.6026 | |
47 | W | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | A | A | 0.0000 | |
50 | T | A | 0.0000 | |
51 | I | A | 0.0000 | |
52 | T | A | -0.7193 | |
53 | S | A | -1.8064 | |
54 | D | A | -2.5126 | |
55 | G | A | -1.3021 | |
56 | G | A | -0.7123 | |
57 | M | A | 0.2691 | |
58 | T | A | 0.1228 | |
59 | D | A | -0.3406 | |
60 | Y | A | -1.0057 | |
61 | V | A | -1.2010 | |
62 | D | A | -2.3570 | |
63 | S | A | -1.7188 | |
64 | V | A | 0.0000 | |
65 | R | A | -2.6974 | |
66 | G | A | -1.7539 | |
67 | R | A | -1.1743 | |
68 | F | A | 0.0000 | |
69 | T | A | -0.8282 | |
70 | L | A | 0.0000 | |
71 | A | A | -0.5170 | |
72 | R | A | -1.6563 | |
73 | D | A | -2.4783 | |
74 | N | A | -2.7943 | |
75 | S | A | -1.9008 | |
76 | R | A | -2.7318 | |
77 | N | A | -2.1284 | |
78 | T | A | -1.3754 | |
79 | L | A | 0.0000 | |
80 | H | A | -0.9991 | |
81 | L | A | 0.0000 | |
82 | Q | A | -1.0268 | |
83 | M | A | 0.0000 | |
84 | T | A | -1.2720 | |
85 | G | A | -1.4941 | |
86 | L | A | 0.0000 | |
87 | R | A | -2.3536 | |
88 | A | A | -1.5796 | |
89 | E | A | -2.1415 | |
90 | D | A | 0.0000 | |
91 | S | A | -0.2707 | |
92 | A | A | 0.0000 | |
93 | V | A | 0.5951 | |
94 | Y | A | 0.0000 | |
95 | Y | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | V | A | 0.0000 | |
98 | N | A | 0.0000 | |
99 | D | A | 0.0000 | |
100 | R | A | -0.6415 | |
101 | N | A | -0.8451 | |
102 | R | A | -0.6985 | |
103 | L | A | 0.3158 | |
104 | P | A | -0.5771 | |
105 | G | A | -1.2563 | |
106 | D | A | -1.9562 | |
107 | Q | A | -2.0334 | |
108 | G | A | 0.0000 | |
109 | H | A | -1.3659 | |
110 | A | A | -0.5463 | |
111 | S | A | 0.0000 | |
112 | Y | A | -0.1007 | |
113 | V | A | 0.0000 | |
114 | M | A | 0.0000 | |
115 | D | A | -0.4697 | |
116 | V | A | 0.1376 | |
117 | W | A | 0.4699 | |
118 | G | A | 0.0000 | |
119 | L | A | 1.4134 | |
120 | G | A | 0.7723 | |
121 | T | A | 0.4093 | |
122 | T | A | 0.5540 | |
123 | V | A | 0.0000 | |
124 | I | A | 0.9490 | |
125 | V | A | 0.0000 | |
126 | S | A | -0.4901 | |
127 | S | A | -0.5488 | |
1 | S | B | 0.4190 | |
2 | V | B | 1.5432 | |
3 | L | B | 0.0000 | |
4 | T | B | 0.0524 | |
5 | Q | B | 0.0000 | |
6 | P | B | -0.5549 | |
7 | P | B | -0.8836 | |
8 | S | B | -0.9318 | |
9 | V | B | -0.5890 | |
10 | S | B | -0.2979 | |
11 | A | B | 0.0000 | |
12 | T | B | -0.0421 | |
13 | A | B | -0.2793 | |
14 | G | B | -1.0018 | |
15 | Q | B | -2.2693 | |
16 | K | B | -2.6474 | |
17 | A | B | 0.0000 | |
18 | S | B | -0.7959 | |
19 | I | B | 0.0000 | |
20 | S | B | -0.1556 | |
21 | C | B | 0.0000 | |
22 | S | B | 0.0477 | |
23 | G | B | 0.0604 | |
24 | S | B | -0.2088 | |
25 | P | B | -0.5627 | |
26 | S | B | -0.4267 | |
27 | A | B | 0.0000 | |
28 | F | B | 0.0000 | |
29 | G | B | -0.5958 | |
30 | T | B | -0.2978 | |
31 | A | B | 0.2129 | |
32 | F | B | 0.4139 | |
33 | V | B | 0.0000 | |
34 | S | B | 0.0000 | |
35 | W | B | 0.0000 | |
36 | Y | B | 0.0000 | |
37 | Q | B | 0.0000 | |
38 | Q | B | 0.0000 | |
39 | F | B | -1.0027 | |
40 | P | B | -1.0195 | |
41 | G | B | -1.1717 | |
42 | E | B | -1.8153 | |
43 | A | B | -0.6345 | |
44 | P | B | 0.0000 | |
45 | R | B | -1.2359 | |
46 | L | B | 0.0000 | |
47 | V | B | 0.0000 | |
48 | I | B | 0.0000 | |
49 | Y | B | -0.0931 | |
50 | D | B | 0.0000 | |
51 | T | B | 0.0000 | |
52 | F | B | 0.5143 | |
53 | E | B | -0.7894 | |
54 | R | B | -1.2725 | |
55 | P | B | -0.9288 | |
56 | S | B | -0.8916 | |
57 | G | B | -0.9241 | |
58 | I | B | 0.0000 | |
59 | P | B | -1.3745 | |
60 | D | B | -2.2660 | |
61 | R | B | -1.7019 | |
62 | F | B | 0.0000 | |
63 | S | B | -0.8746 | |
64 | G | B | 0.0465 | |
65 | S | B | 0.4148 | |
66 | W | B | 1.1515 | |
67 | S | B | 0.3008 | |
68 | A | B | 0.0355 | |
69 | S | B | -0.1889 | |
70 | S | B | 0.0003 | |
71 | A | B | 0.0000 | |
72 | T | B | 0.0674 | |
73 | L | B | 0.0000 | |
74 | D | B | -0.9905 | |
75 | I | B | 0.0000 | |
76 | T | B | -1.7509 | |
77 | T | B | -1.5106 | |
78 | V | B | 0.0000 | |
79 | Q | B | -0.4251 | |
80 | V | B | 1.1899 | |
81 | G | B | -0.0796 | |
82 | D | B | 0.0000 | |
83 | E | B | -0.9071 | |
84 | G | B | 0.0000 | |
85 | D | B | -1.4818 | |
86 | Y | B | 0.0000 | |
87 | Y | B | 0.0000 | |
88 | C | B | 0.0000 | |
89 | G | B | 0.0000 | |
90 | T | B | 0.0000 | |
91 | W | B | 0.0000 | |
92 | D | B | 0.0000 | |
93 | S | B | -0.8902 | |
94 | R | B | -1.4742 | |
95 | L | B | 0.1929 | |
96 | R | B | -0.5959 | |
97 | L | B | -0.1775 | |
98 | W | B | 0.0000 | |
99 | V | B | 0.3527 | |
100 | F | B | 0.0000 | |
101 | G | B | 0.0000 | |
102 | G | B | -0.2607 | |
103 | G | B | -0.7678 | |
104 | T | B | 0.0000 | |
105 | K | B | -1.9629 | |
106 | L | B | 0.0000 | |
107 | T | B | -0.1767 | |
108 | V | B | 0.5947 | |
109 | L | B | 1.6457 |