Chain sequence(s) |
A: NFTLPPNFGKRPTDLELSVKLVEMLENIMLRDGCTLEESKIKKVLEKPKYINLALEAQFTIMPKTALELAKVFRLKNIEALAILVCGCSPTGNLSNIYSRRLKGDLNLSWVMTTCSTLCANERMPELLEKYSRGIYDGDLKDKVPYKGILISLELVTKPCTEGIELKSKRPQLLRKVMKELEEKVKELEEEVTRLSKENVGKSIMFAMTPKILKTSSLMPKLGYEKGLEISEKACLNGRCRRTVSMETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMQNQKEEGDKIVKEYKEEEKKKE
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | MK205A,AS207A,FY206A |
Energy difference between WT (input) and mutated protein (by FoldX) | 0.585916 kcal/mol |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:01) [INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01) [INFO] runJob: Creating pdb object from: input.pdb (00:00:01) [INFO] FoldX: Starting FoldX energy minimalization (00:00:01) [INFO] FoldX: Building mutant model (00:02:59) [INFO] FoldX: Starting FoldX energy minimalization (00:03:15) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:50) [INFO] Main: Simulation completed successfully. (00:05:51) |
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
residue index | residue name | chain | Aggrescan3D score | mutation |
---|---|---|---|---|
residue index | residue name | chain | Aggrescan3D score | |
1 | N | A | -0.4903 | |
2 | F | A | 0.9729 | |
3 | T | A | 0.5227 | |
4 | L | A | 0.0153 | |
5 | P | A | -0.2013 | |
6 | P | A | -1.0600 | |
7 | N | A | -2.2612 | |
8 | F | A | 0.0000 | |
9 | G | A | -1.4350 | |
10 | K | A | -2.3520 | |
11 | R | A | -1.5178 | |
12 | P | A | -0.7953 | |
13 | T | A | -0.6528 | |
14 | D | A | -0.6872 | |
15 | L | A | 0.9146 | |
16 | E | A | -0.1396 | |
17 | L | A | 0.0000 | |
18 | S | A | 1.0726 | |
19 | V | A | 1.5156 | |
20 | K | A | -0.4772 | |
21 | L | A | 0.0000 | |
22 | V | A | 0.3171 | |
23 | E | A | -0.8337 | |
24 | M | A | 0.0000 | |
25 | L | A | 0.0000 | |
26 | E | A | -1.3984 | |
27 | N | A | 0.0000 | |
28 | I | A | 0.0000 | |
29 | M | A | 0.0000 | |
30 | L | A | -0.5792 | |
31 | R | A | -1.0898 | |
32 | D | A | -0.2165 | |
33 | G | A | 0.0000 | |
34 | C | A | 0.0000 | |
35 | T | A | -0.2831 | |
36 | L | A | -0.8425 | |
37 | E | A | -1.8866 | |
38 | E | A | -2.7001 | |
39 | S | A | -2.1798 | |
40 | K | A | -2.4554 | |
41 | I | A | -2.1812 | |
42 | K | A | -3.2928 | |
43 | K | A | -3.3253 | |
44 | V | A | 0.0000 | |
45 | L | A | -1.6040 | |
46 | E | A | -3.0334 | |
47 | K | A | -2.9455 | |
48 | P | A | -2.0711 | |
49 | K | A | -2.5060 | |
50 | Y | A | -1.4305 | |
51 | I | A | -1.2498 | |
52 | N | A | -2.1163 | |
53 | L | A | 0.0000 | |
54 | A | A | 0.0000 | |
55 | L | A | -0.8675 | |
56 | E | A | -1.4530 | |
57 | A | A | 0.0000 | |
58 | Q | A | 0.0000 | |
59 | F | A | 0.0000 | |
60 | T | A | -0.7698 | |
61 | I | A | -0.6433 | |
62 | M | A | 0.0000 | |
63 | P | A | 0.0000 | |
64 | K | A | -1.8793 | |
65 | T | A | 0.0000 | |
66 | A | A | 0.0000 | |
67 | L | A | -1.3910 | |
68 | E | A | -2.4094 | |
69 | L | A | 0.0000 | |
70 | A | A | 0.0000 | |
71 | K | A | -2.1637 | |
72 | V | A | 0.0136 | |
73 | F | A | -1.1062 | |
74 | R | A | -2.5305 | |
75 | L | A | -1.8769 | |
76 | K | A | -2.5572 | |
77 | N | A | -1.9022 | |
78 | I | A | -0.4917 | |
79 | E | A | 0.0000 | |
80 | A | A | 0.0000 | |
81 | L | A | 0.0000 | |
82 | A | A | 0.0000 | |
83 | I | A | 0.0000 | |
84 | L | A | 0.0000 | |
85 | V | A | 0.0000 | |
86 | C | A | 0.0000 | |
87 | G | A | 0.0000 | |
88 | C | A | 0.0000 | |
89 | S | A | 0.0000 | |
90 | P | A | 0.0000 | |
91 | T | A | 0.0000 | |
92 | G | A | 0.0000 | |
93 | N | A | 0.1431 | |
94 | L | A | 0.3887 | |
95 | S | A | 0.0000 | |
96 | N | A | 0.0000 | |
97 | I | A | 0.5992 | |
98 | Y | A | 0.0000 | |
99 | S | A | 0.0000 | |
100 | R | A | -2.5545 | |
101 | R | A | -2.1766 | |
102 | L | A | 0.0000 | |
103 | K | A | -3.3047 | |
104 | G | A | 0.0000 | |
105 | D | A | -2.2369 | |
106 | L | A | -1.2095 | |
107 | N | A | -1.1787 | |
108 | L | A | 0.0000 | |
109 | S | A | 0.0000 | |
110 | W | A | -0.2873 | |
111 | V | A | 0.0000 | |
112 | M | A | 0.0000 | |
113 | T | A | 0.1933 | |
114 | T | A | 0.0000 | |
115 | C | A | 0.0000 | |
116 | S | A | 0.0000 | |
117 | T | A | 0.2582 | |
118 | L | A | 0.4602 | |
119 | C | A | -0.4078 | |
120 | A | A | 0.0000 | |
121 | N | A | -1.8210 | |
122 | E | A | -2.8603 | |
123 | R | A | -2.7789 | |
124 | M | A | 0.0000 | |
125 | P | A | -2.2769 | |
126 | E | A | -3.2967 | |
127 | L | A | 0.0000 | |
128 | L | A | 0.0000 | |
129 | E | A | -2.8461 | |
130 | K | A | -2.3171 | |
131 | Y | A | -1.6941 | |
132 | S | A | 0.0000 | |
133 | R | A | -3.1298 | |
134 | G | A | -1.9669 | |
135 | I | A | -1.5518 | |
136 | Y | A | -2.0377 | |
137 | D | A | -2.7723 | |
138 | G | A | -2.6455 | |
139 | D | A | -3.6855 | |
140 | L | A | 0.0000 | |
141 | K | A | -3.5753 | |
142 | D | A | -3.4463 | |
143 | K | A | -2.5800 | |
144 | V | A | 0.0000 | |
145 | P | A | -1.2183 | |
146 | Y | A | -1.1856 | |
147 | K | A | -1.0079 | |
148 | G | A | 0.0087 | |
149 | I | A | 0.0000 | |
150 | L | A | 0.0941 | |
151 | I | A | 0.8041 | |
152 | S | A | 0.0000 | |
153 | L | A | 0.0000 | |
154 | E | A | -1.6938 | |
155 | L | A | -0.8404 | |
156 | V | A | 0.0000 | |
157 | T | A | -1.5194 | |
158 | K | A | -2.5801 | |
159 | P | A | 0.0000 | |
160 | C | A | -1.3117 | |
161 | T | A | -1.7724 | |
162 | E | A | -2.7223 | |
163 | G | A | 0.0000 | |
164 | I | A | -1.8941 | |
165 | E | A | -3.4623 | |
166 | L | A | -2.4574 | |
167 | K | A | -2.7736 | |
168 | S | A | -2.8888 | |
169 | K | A | -3.2961 | |
170 | R | A | -3.3110 | |
171 | P | A | -2.7137 | |
172 | Q | A | -2.3938 | |
173 | L | A | -1.5690 | |
174 | L | A | 0.0000 | |
175 | R | A | -3.3254 | |
176 | K | A | -3.4080 | |
177 | V | A | -2.5825 | |
178 | M | A | -3.0516 | |
179 | K | A | -4.7265 | |
180 | E | A | -4.6448 | |
181 | L | A | 0.0000 | |
182 | E | A | -4.7907 | |
183 | E | A | -5.1644 | |
184 | K | A | -4.6027 | |
185 | V | A | 0.0000 | |
186 | K | A | -5.0869 | |
187 | E | A | -4.9222 | |
188 | L | A | 0.0000 | |
189 | E | A | -4.3308 | |
190 | E | A | -4.2018 | |
191 | E | A | -3.3571 | |
192 | V | A | 0.0000 | |
193 | T | A | -2.6165 | |
194 | R | A | -3.0231 | |
195 | L | A | 0.0000 | |
196 | S | A | 0.0000 | |
197 | K | A | -3.2874 | |
198 | E | A | -3.2467 | |
199 | N | A | 0.0000 | |
200 | V | A | 0.0000 | |
201 | G | A | -2.5619 | |
202 | K | A | -2.4161 | |
203 | S | A | -0.7264 | |
204 | I | A | -0.7272 | |
205 | K | A | -1.3826 | mutated: MK205A |
206 | Y | A | 0.4224 | mutated: FY206A |
207 | S | A | 0.0000 | mutated: AS207A |
208 | M | A | 0.0000 | |
209 | T | A | -0.3039 | |
210 | P | A | -0.7323 | |
211 | K | A | -1.1111 | |
212 | I | A | 0.0000 | |
213 | L | A | -0.1171 | |
214 | K | A | -1.2883 | |
215 | T | A | 0.0000 | |
216 | S | A | 0.0000 | |
217 | S | A | -0.8637 | |
218 | L | A | -0.2522 | |
219 | M | A | 0.0000 | |
220 | P | A | 0.0000 | |
221 | K | A | -1.3066 | |
222 | L | A | -0.6789 | |
223 | G | A | 0.0000 | |
224 | Y | A | 0.0000 | |
225 | E | A | -2.4825 | |
226 | K | A | -2.0917 | |
227 | G | A | 0.0000 | |
228 | L | A | -2.1312 | |
229 | E | A | -3.1588 | |
230 | I | A | -2.1610 | |
231 | S | A | 0.0000 | |
232 | E | A | -2.8832 | |
233 | K | A | -2.5292 | |
234 | A | A | -1.5179 | |
235 | C | A | -0.9000 | |
236 | L | A | 0.0000 | |
237 | N | A | -2.3526 | |
238 | G | A | -2.5641 | |
239 | R | A | -3.4382 | |
240 | C | A | 0.0000 | |
241 | R | A | -2.3873 | |
242 | R | A | -1.9116 | |
243 | T | A | 0.0000 | |
244 | V | A | 0.0000 | |
245 | S | A | 0.0000 | |
246 | M | A | 0.0000 | |
247 | E | A | 0.0000 | |
248 | T | A | 0.0000 | |
249 | G | A | 0.0000 | |
250 | C | A | 0.0000 | |
251 | R | A | 0.0000 | |
252 | N | A | 0.0000 | |
253 | V | A | 0.0000 | |
254 | Q | A | -0.0681 | |
255 | L | A | 0.0000 | |
256 | C | A | 0.0000 | |
257 | S | A | 0.0000 | |
258 | T | A | 0.0000 | |
259 | I | A | 0.0000 | |
260 | L | A | 0.0000 | |
261 | N | A | 0.8249 | |
262 | V | A | 1.9621 | |
263 | A | A | 0.6215 | |
264 | F | A | 0.0000 | |
265 | P | A | -0.1347 | |
266 | P | A | -0.7184 | |
267 | E | A | -1.3543 | |
268 | V | A | 0.5221 | |
269 | I | A | 0.0000 | |
270 | G | A | 0.0000 | |
271 | P | A | 0.0000 | |
272 | L | A | 0.0000 | |
273 | F | A | 0.0000 | |
274 | F | A | 0.0000 | |
275 | F | A | 0.0000 | |
276 | P | A | 0.0000 | |
277 | L | A | 0.5198 | |
278 | L | A | 0.2899 | |
279 | Y | A | 0.0000 | |
280 | M | A | -0.5981 | |
281 | Q | A | -1.7755 | |
282 | N | A | -1.8071 | |
283 | Q | A | 0.0000 | |
284 | K | A | -2.6442 | |
285 | E | A | -3.3924 | |
286 | E | A | -2.8660 | |
287 | G | A | 0.0000 | |
288 | D | A | -2.9344 | |
289 | K | A | -3.4579 | |
290 | I | A | -2.4644 | |
291 | V | A | -3.2647 | |
292 | K | A | -4.1686 | |
293 | E | A | -4.3271 | |
294 | Y | A | -3.8749 | |
295 | K | A | -5.1867 | |
296 | E | A | -5.5381 | |
297 | E | A | -5.5124 | |
298 | E | A | -5.0321 | |
299 | K | A | -5.4231 | |
300 | K | A | -5.2469 | |
301 | K | A | -4.7090 | |
302 | E | A | -4.0673 |