Chain sequence(s) |
A: QLQLVQSGAEVKKPGASVRVSCKASGYKFTDFGMSWVRQAPGQGLEWMGWISGYNDKTGYFGVSGYNGKTKYAQKFQGRVTMTTDTSTGTAYMELKSLRSDDTAVYYCARDTVVVVVDATAGALTGYYYGMDVWGQGTTVTVSS
B: DIVLMQSPGTLSLSPGETTTLSCRASQSLGNSYLAWYQQKPGQAPRLLIYDASTRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYHCQHYGSSPPYTFGQGTKLEIK 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 (00:02:12) [INFO] Main: Simulation completed successfully. (00:02:14) |
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 | -0.9458 | |
2 | L | A | -0.0077 | |
3 | Q | A | -0.5337 | |
4 | L | A | 0.0000 | |
5 | V | A | 0.0824 | |
6 | Q | A | 0.0000 | |
7 | S | A | -0.7090 | |
8 | G | A | -0.6514 | |
9 | A | A | -0.0796 | |
10 | E | A | -0.2173 | |
11 | V | A | 0.8452 | |
12 | K | A | -0.9746 | |
13 | K | A | -2.1967 | |
14 | P | A | -2.4684 | |
15 | G | A | -1.8866 | |
16 | A | A | -1.4456 | |
17 | S | A | -2.0622 | |
18 | V | A | 0.0000 | |
19 | R | A | -2.4814 | |
20 | V | A | 0.0000 | |
21 | S | A | -0.7230 | |
22 | C | A | 0.0000 | |
23 | K | A | -1.0356 | |
24 | A | A | -0.7267 | |
25 | S | A | -0.7398 | |
26 | G | A | -0.7494 | |
27 | Y | A | -0.9407 | |
28 | K | A | -1.8175 | |
29 | F | A | 0.0000 | |
30 | T | A | -1.2348 | |
31 | D | A | -1.2355 | |
32 | F | A | -0.3469 | |
33 | G | A | 0.0000 | |
34 | M | A | 0.0000 | |
35 | S | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | 0.0000 | |
39 | Q | A | -0.6151 | |
40 | A | A | -0.9889 | |
41 | P | A | -0.8375 | |
42 | G | A | -1.2235 | |
43 | Q | A | -1.8774 | |
44 | G | A | -1.3440 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.7809 | |
47 | W | A | 0.0000 | |
48 | M | A | 0.0000 | |
49 | G | A | 0.0000 | |
50 | W | A | 0.0000 | |
51 | I | A | 0.0000 | |
52 | S | A | 0.0000 | |
53 | G | A | 0.0000 | |
54 | Y | A | -1.0990 | |
55 | N | A | -1.3519 | |
56 | D | A | -1.3404 | |
57 | K | A | -1.8883 | |
58 | T | A | -0.6910 | |
59 | G | A | -0.4206 | |
60 | Y | A | 0.9574 | |
61 | F | A | 0.8958 | |
62 | G | A | -0.1846 | |
63 | V | A | -0.5294 | |
64 | S | A | -1.1392 | |
65 | G | A | -1.2050 | |
66 | Y | A | -1.1456 | |
67 | N | A | -1.7088 | |
68 | G | A | -1.5938 | |
69 | K | A | -2.2129 | |
70 | T | A | -1.3585 | |
71 | K | A | -1.3856 | |
72 | Y | A | -1.2415 | |
73 | A | A | 0.0000 | |
74 | Q | A | -2.8228 | |
75 | K | A | -2.7111 | |
76 | F | A | 0.0000 | |
77 | Q | A | -2.5126 | |
78 | G | A | -1.8197 | |
79 | R | A | -1.9362 | |
80 | V | A | 0.0000 | |
81 | T | A | -1.1207 | |
82 | M | A | 0.0000 | |
83 | T | A | -0.5303 | |
84 | T | A | -0.5857 | |
85 | D | A | -1.0216 | |
86 | T | A | -0.8143 | |
87 | S | A | -0.4950 | |
88 | T | A | -0.5985 | |
89 | G | A | 0.0000 | |
90 | T | A | 0.0000 | |
91 | A | A | 0.0000 | |
92 | Y | A | -0.7519 | |
93 | M | A | 0.0000 | |
94 | E | A | -2.0136 | |
95 | L | A | 0.0000 | |
96 | K | A | -2.5918 | |
97 | S | A | -1.8933 | |
98 | L | A | 0.0000 | |
99 | R | A | -3.3114 | |
100 | S | A | -2.4662 | |
101 | D | A | -2.5352 | |
102 | D | A | 0.0000 | |
103 | T | A | -0.9169 | |
104 | A | A | 0.0000 | |
105 | V | A | 0.1153 | |
106 | Y | A | 0.0000 | |
107 | Y | A | 0.0000 | |
108 | C | A | 0.0000 | |
109 | A | A | 0.0000 | |
110 | R | A | 0.0000 | |
111 | D | A | 0.0000 | |
112 | T | A | 0.0000 | |
113 | V | A | 0.0000 | |
114 | V | A | 1.2962 | |
115 | V | A | 1.3208 | |
116 | V | A | 1.9080 | |
117 | V | A | 1.8453 | |
118 | D | A | -0.0211 | |
119 | A | A | -0.0300 | |
120 | T | A | -0.1219 | |
121 | A | A | 0.2663 | |
122 | G | A | 0.4604 | |
123 | A | A | 0.5928 | |
124 | L | A | 1.1289 | |
125 | T | A | 0.7623 | |
126 | G | A | 0.7685 | |
127 | Y | A | 1.1384 | |
128 | Y | A | 0.7381 | |
129 | Y | A | 0.5640 | |
130 | G | A | 0.0000 | |
131 | M | A | 0.0000 | |
132 | D | A | -0.6094 | |
133 | V | A | -0.2666 | |
134 | W | A | -0.4990 | |
135 | G | A | 0.0000 | |
136 | Q | A | -1.3249 | |
137 | G | A | -0.6749 | |
138 | T | A | 0.0000 | |
139 | T | A | -0.0114 | |
140 | V | A | 0.0000 | |
141 | T | A | -0.3621 | |
142 | V | A | 0.0000 | |
143 | S | A | -1.2051 | |
144 | S | A | -0.9807 | |
1 | D | B | -1.6764 | |
2 | I | B | 0.0000 | |
3 | V | B | 0.8371 | |
4 | L | B | 0.0000 | |
5 | M | B | 0.0068 | |
6 | Q | B | 0.0000 | |
7 | S | B | -0.6575 | |
8 | P | B | -0.4734 | |
9 | G | B | -0.8868 | |
10 | T | B | -0.7228 | |
11 | L | B | -0.2793 | |
12 | S | B | -0.3198 | |
13 | L | B | -0.2058 | |
14 | S | B | -0.7899 | |
15 | P | B | -1.4284 | |
16 | G | B | -1.9803 | |
17 | E | B | -1.7510 | |
18 | T | B | -1.2959 | |
19 | T | B | 0.0000 | |
20 | T | B | -0.1123 | |
21 | L | B | 0.0000 | |
22 | S | B | -0.6875 | |
23 | C | B | 0.0000 | |
24 | R | B | -1.6113 | |
25 | A | B | 0.0000 | |
26 | S | B | -0.8501 | |
27 | Q | B | -1.7174 | |
28 | S | B | -1.5356 | |
29 | L | B | 0.0000 | |
30 | G | B | -1.3691 | |
31 | N | B | -1.6219 | |
32 | S | B | -1.1560 | |
33 | Y | B | -0.4751 | |
34 | L | B | 0.0000 | |
35 | A | B | 0.0000 | |
36 | W | B | 0.0000 | |
37 | Y | B | 0.0000 | |
38 | Q | B | 0.0000 | |
39 | Q | B | 0.0000 | |
40 | K | B | -1.5363 | |
41 | P | B | -1.0499 | |
42 | G | B | -1.4314 | |
43 | Q | B | -2.0590 | |
44 | A | B | -1.3099 | |
45 | P | B | 0.0000 | |
46 | R | B | -1.1754 | |
47 | L | B | 0.0000 | |
48 | L | B | 0.0000 | |
49 | I | B | 0.0000 | |
50 | Y | B | -0.2195 | |
51 | D | B | -0.5807 | |
52 | A | B | 0.0000 | |
53 | S | B | -0.7212 | |
54 | T | B | -0.7218 | |
55 | R | B | -1.6239 | |
56 | A | B | 0.0000 | |
57 | T | B | -0.6640 | |
58 | G | B | -0.9152 | |
59 | I | B | 0.0000 | |
60 | P | B | -1.3573 | |
61 | D | B | -2.2492 | |
62 | R | B | -1.7354 | |
63 | F | B | 0.0000 | |
64 | S | B | -1.0188 | |
65 | G | B | -0.5859 | |
66 | S | B | -0.7248 | |
67 | G | B | -1.1301 | |
68 | S | B | -1.3049 | |
69 | G | B | -1.4265 | |
70 | T | B | -1.7189 | |
71 | D | B | -2.0612 | |
72 | F | B | 0.0000 | |
73 | T | B | -0.7439 | |
74 | L | B | 0.0000 | |
75 | T | B | -0.4015 | |
76 | I | B | 0.0000 | |
77 | S | B | -1.7353 | |
78 | R | B | -2.6894 | |
79 | L | B | 0.0000 | |
80 | E | B | -2.3727 | |
81 | P | B | -1.6035 | |
82 | E | B | -2.2680 | |
83 | D | B | 0.0000 | |
84 | F | B | -0.5703 | |
85 | A | B | 0.0000 | |
86 | V | B | -0.3854 | |
87 | Y | B | 0.0000 | |
88 | H | B | 0.0000 | |
89 | C | B | 0.0000 | |
90 | Q | B | 0.0000 | |
91 | H | B | 0.0000 | |
92 | Y | B | 0.0000 | |
93 | G | B | -0.3376 | |
94 | S | B | -0.4973 | |
95 | S | B | -0.6563 | |
96 | P | B | -0.7989 | |
97 | P | B | 0.0000 | |
98 | Y | B | 0.0000 | |
99 | T | B | -0.1767 | |
100 | F | B | 0.0000 | |
101 | G | B | 0.0000 | |
102 | Q | B | -1.3443 | |
103 | G | B | 0.0000 | |
104 | T | B | 0.0000 | |
105 | K | B | -1.1171 | |
106 | L | B | 0.0000 | |
107 | E | B | -0.2672 | |
108 | I | B | 0.6773 | |
109 | K | B | -0.9219 |