Chain sequence(s) |
A: QVQLVESGGGVVQPGGSLRLSCAASGVTLDNFGMHWVRRAPGKGLEWVAFIHYDGNNRFFVDSVRGRFIISRDNAKNTVFLQMNNLRIEDTAVYYCAKAGEPHGTILQFLEDGQYYYDTKGLNYHFYYMDVWGKGTTVTVSS
B: QSVLTQPPSMSAAPGRKVTISCSGSGSNIGNNYVSWYQHLPGTAPRLLIYEDNKRPSGIPDRFSGSKSGTSATLDIAGLHSGDEADYFCGTWDSSLSAGLFGGGTKLTVL 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 (00:01:48) [INFO] Main: Simulation completed successfully. (00:01:50) |
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 | -1.2625 | |
2 | V | A | -0.5211 | |
3 | Q | A | -0.9346 | |
4 | L | A | 0.0000 | |
5 | V | A | 0.5953 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.5257 | |
8 | G | A | -0.9886 | |
9 | G | A | -0.3494 | |
10 | G | A | 0.3945 | |
11 | V | A | 1.4496 | |
12 | V | A | 0.3493 | |
13 | Q | A | -1.1012 | |
14 | P | A | -1.2450 | |
15 | G | A | -1.6037 | |
16 | G | A | -1.1509 | |
17 | S | A | -1.2103 | |
18 | L | A | -0.9434 | |
19 | R | A | -1.9234 | |
20 | L | A | 0.0000 | |
21 | S | A | -0.4184 | |
22 | C | A | 0.0000 | |
23 | A | A | -0.1274 | |
24 | A | A | 0.0000 | |
25 | S | A | -0.5129 | |
26 | G | A | -0.7393 | |
27 | V | A | -0.2879 | |
28 | T | A | -0.5411 | |
29 | L | A | 0.0000 | |
30 | D | A | -1.6797 | |
31 | N | A | -1.3478 | |
32 | F | A | -0.7799 | |
33 | G | A | 0.0000 | |
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 | R | A | -0.9351 | |
40 | A | A | -1.2857 | |
41 | P | A | -1.2156 | |
42 | G | A | -1.4819 | |
43 | K | A | -2.2995 | |
44 | G | A | -1.4711 | |
45 | L | A | 0.0000 | |
46 | E | A | -1.0373 | |
47 | W | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | A | A | 0.0000 | |
50 | F | A | 0.0000 | |
51 | I | A | 0.0000 | |
52 | H | A | -1.5557 | |
53 | Y | A | -1.6485 | |
54 | D | A | -2.8214 | |
55 | G | A | 0.0000 | |
56 | N | A | -2.5799 | |
57 | N | A | -2.4099 | |
58 | R | A | -1.6523 | |
59 | F | A | -0.4657 | |
60 | F | A | -0.4343 | |
61 | V | A | -0.8462 | |
62 | D | A | -2.1070 | |
63 | S | A | -1.5756 | |
64 | V | A | 0.0000 | |
65 | R | A | -2.0441 | |
66 | G | A | -1.3890 | |
67 | R | A | 0.0000 | |
68 | F | A | 0.0000 | |
69 | I | A | 0.6277 | |
70 | I | A | 0.0000 | |
71 | S | A | -0.4764 | |
72 | R | A | -1.1658 | |
73 | D | A | -1.6507 | |
74 | N | A | -1.9737 | |
75 | A | A | -1.3884 | |
76 | K | A | -2.1955 | |
77 | N | A | -1.5236 | |
78 | T | A | -0.9226 | |
79 | V | A | 0.0000 | |
80 | F | A | -0.2586 | |
81 | L | A | 0.0000 | |
82 | Q | A | -0.6366 | |
83 | M | A | 0.0000 | |
84 | N | A | -1.4030 | |
85 | N | A | -2.1564 | |
86 | L | A | 0.0000 | |
87 | R | A | -1.5694 | |
88 | I | A | 0.0510 | |
89 | E | A | -1.3806 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.0999 | |
92 | A | A | 0.0000 | |
93 | V | A | 0.0333 | |
94 | Y | A | 0.0000 | |
95 | Y | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | K | A | 0.0000 | |
99 | A | A | 0.0000 | |
100 | G | A | 0.0000 | |
101 | E | A | -1.7155 | |
102 | P | A | -1.0566 | |
103 | H | A | -0.7914 | |
104 | G | A | -0.5567 | |
105 | T | A | 0.4980 | |
106 | I | A | 1.4035 | |
107 | L | A | 2.3402 | |
108 | Q | A | 1.9901 | |
109 | F | A | 2.1961 | |
110 | L | A | 0.2330 | |
111 | E | A | -2.1530 | |
112 | D | A | -2.5633 | |
113 | G | A | -1.5135 | |
114 | Q | A | -0.7591 | |
115 | Y | A | 1.9907 | |
116 | Y | A | 2.7772 | |
117 | Y | A | 2.4487 | |
118 | D | A | 0.9274 | |
119 | T | A | -0.0368 | |
120 | K | A | -0.7934 | |
121 | G | A | -0.0228 | |
122 | L | A | 0.1989 | |
123 | N | A | -0.2227 | |
124 | Y | A | 0.4334 | |
125 | H | A | 0.0000 | |
126 | F | A | 0.6326 | |
127 | Y | A | 0.6852 | |
128 | Y | A | 0.0000 | |
129 | M | A | 0.0000 | |
130 | D | A | -0.6982 | |
131 | V | A | -0.1611 | |
132 | W | A | 0.0000 | |
133 | G | A | 0.0000 | |
134 | K | A | -1.5517 | |
135 | G | A | 0.0000 | |
136 | T | A | -0.2926 | |
137 | T | A | 0.1598 | |
138 | V | A | 0.0000 | |
139 | T | A | 0.4095 | |
140 | V | A | 0.0000 | |
141 | S | A | -0.2003 | |
142 | S | A | -0.2611 | |
1 | Q | B | -0.9406 | |
2 | S | B | -0.1054 | |
3 | V | B | 1.1890 | |
4 | L | B | 0.0000 | |
5 | T | B | -0.1258 | |
6 | Q | B | 0.0000 | |
7 | P | B | -0.5900 | |
8 | P | B | -0.8669 | |
9 | S | B | -0.9414 | |
10 | M | B | -0.4588 | |
11 | S | B | -0.1560 | |
12 | A | B | -0.5778 | |
13 | A | B | -0.6846 | |
14 | P | B | -1.3465 | |
15 | G | B | -2.2425 | |
16 | R | B | -3.1995 | |
17 | K | B | -2.9696 | |
18 | V | B | 0.0000 | |
19 | T | B | -0.5672 | |
20 | I | B | 0.0000 | |
21 | S | B | -0.3297 | |
22 | C | B | 0.0000 | |
23 | S | B | -0.2215 | |
24 | G | B | -0.1265 | |
25 | S | B | -0.5939 | |
26 | G | B | -1.2673 | |
27 | S | B | -0.8231 | |
28 | N | B | 0.0000 | |
29 | I | B | 0.0000 | |
30 | G | B | -1.5353 | |
31 | N | B | -1.6687 | |
32 | N | B | 0.0000 | |
33 | Y | B | 0.0403 | |
34 | V | B | 0.0000 | |
35 | S | B | 0.0000 | |
36 | W | B | 0.0000 | |
37 | Y | B | 0.0000 | |
38 | Q | B | 0.0000 | |
39 | H | B | 0.0000 | |
40 | L | B | -0.2656 | |
41 | P | B | -0.2576 | |
42 | G | B | -0.7270 | |
43 | T | B | -0.7248 | |
44 | A | B | -0.8404 | |
45 | P | B | 0.0000 | |
46 | R | B | -0.8247 | |
47 | L | B | 0.0000 | |
48 | L | B | 0.0000 | |
49 | I | B | 0.0000 | |
50 | Y | B | -0.5937 | |
51 | E | B | 0.0000 | |
52 | D | B | -1.1344 | |
53 | N | B | -1.9955 | |
54 | K | B | -1.9799 | |
55 | R | B | -1.6853 | |
56 | P | B | -0.7276 | |
57 | S | B | -0.6508 | |
58 | G | B | -0.8173 | |
59 | I | B | -1.0254 | |
60 | P | B | -1.3681 | |
61 | D | B | -2.4123 | |
62 | R | B | -1.8795 | |
63 | F | B | 0.0000 | |
64 | S | B | -1.4744 | |
65 | G | B | -1.4183 | |
66 | S | B | -1.1659 | |
67 | K | B | -1.1702 | |
68 | S | B | -0.8623 | |
69 | G | B | -1.1593 | |
70 | T | B | -1.0681 | |
71 | S | B | -0.7525 | |
72 | A | B | 0.0000 | |
73 | T | B | -0.6066 | |
74 | L | B | 0.0000 | |
75 | D | B | -1.0883 | |
76 | I | B | 0.0000 | |
77 | A | B | -2.2120 | |
78 | G | B | -2.0551 | |
79 | L | B | 0.0000 | |
80 | H | B | -1.7207 | |
81 | S | B | -1.0152 | |
82 | G | B | -1.1316 | |
83 | D | B | 0.0000 | |
84 | E | B | -1.3880 | |
85 | A | B | -0.8834 | |
86 | D | B | 0.0000 | |
87 | Y | B | 0.0000 | |
88 | F | B | 0.0000 | |
89 | C | B | 0.0000 | |
90 | G | B | 0.0000 | |
91 | T | B | 0.0000 | |
92 | W | B | 0.0000 | |
93 | D | B | 0.0000 | |
94 | S | B | -0.2940 | |
95 | S | B | -0.0313 | |
96 | L | B | 0.6339 | |
97 | S | B | 0.1677 | |
98 | A | B | 0.0000 | |
99 | G | B | 0.2840 | |
100 | L | B | 0.4098 | |
101 | F | B | 0.0000 | |
102 | G | B | 0.0000 | |
103 | G | B | -1.0565 | |
104 | G | B | 0.0000 | |
105 | T | B | 0.0000 | |
106 | K | B | -1.8924 | |
107 | L | B | 0.0000 | |
108 | T | B | -0.5887 | |
109 | V | B | 0.0000 | |
110 | L | B | 1.1945 |