Chain sequence(s) |
A: KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTRITK
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
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] Analysis: Starting Aggrescan3D on folded.pdb (00:06:41) [INFO] Main: Simulation completed successfully. (00:06:43) |
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 | K | A | -1.2319 | |
2 | I | A | 0.4205 | |
3 | E | A | 0.0000 | |
4 | E | A | -1.8324 | |
5 | G | A | -1.5251 | |
6 | K | A | -1.6065 | |
7 | L | A | 0.0000 | |
8 | V | A | -0.3326 | |
9 | I | A | 0.0000 | |
10 | W | A | 0.0000 | |
11 | I | A | 0.0000 | |
12 | N | A | -1.4145 | |
13 | G | A | -1.3755 | |
14 | D | A | -0.7618 | |
15 | K | A | -0.9145 | |
16 | G | A | 0.0000 | |
17 | Y | A | -1.1202 | |
18 | N | A | -1.9866 | |
19 | G | A | 0.0000 | |
20 | L | A | 0.0000 | |
21 | A | A | -1.5963 | |
22 | E | A | -2.5619 | |
23 | V | A | 0.0000 | |
24 | G | A | 0.0000 | |
25 | K | A | -3.8267 | |
26 | K | A | -3.7004 | |
27 | F | A | 0.0000 | |
28 | E | A | -3.7466 | |
29 | K | A | -4.0917 | |
30 | D | A | -3.6694 | |
31 | T | A | -2.4440 | |
32 | G | A | -2.3532 | |
33 | I | A | -2.0721 | |
34 | K | A | -2.9130 | |
35 | V | A | -1.3512 | |
36 | T | A | -0.5227 | |
37 | V | A | -0.4551 | |
38 | E | A | -1.3241 | |
39 | H | A | -1.7598 | |
40 | P | A | -2.1191 | |
41 | D | A | -3.1768 | |
42 | K | A | -3.1863 | |
43 | L | A | 0.0000 | |
44 | E | A | -1.7830 | |
45 | E | A | -2.1505 | |
46 | K | A | -2.2493 | |
47 | F | A | 0.0000 | |
48 | P | A | -1.1710 | |
49 | Q | A | -1.5910 | |
50 | V | A | -0.8007 | |
51 | A | A | 0.0000 | |
52 | A | A | -0.8192 | |
53 | T | A | -0.5536 | |
54 | G | A | -0.8222 | |
55 | D | A | -0.8026 | |
56 | G | A | -0.5026 | |
57 | P | A | 0.0000 | |
58 | D | A | 0.0000 | |
59 | I | A | 0.0000 | |
60 | I | A | 0.0000 | |
61 | F | A | 0.0000 | |
62 | W | A | 0.0280 | |
63 | A | A | -0.0337 | |
64 | H | A | 0.0000 | |
65 | D | A | 0.0000 | |
66 | R | A | -0.4027 | |
67 | F | A | 0.0000 | |
68 | G | A | 0.0000 | |
69 | G | A | -0.7956 | |
70 | Y | A | 0.0000 | |
71 | A | A | -1.4767 | |
72 | Q | A | -1.6063 | |
73 | S | A | -1.0646 | |
74 | G | A | -0.9895 | |
75 | L | A | 0.0000 | |
76 | L | A | 0.0000 | |
77 | A | A | -1.1821 | |
78 | E | A | -2.2599 | |
79 | I | A | 0.0000 | |
80 | T | A | -1.4374 | |
81 | P | A | 0.0000 | |
82 | D | A | -2.9191 | |
83 | K | A | -3.3042 | |
84 | A | A | -2.2567 | |
85 | F | A | -2.1842 | |
86 | Q | A | -2.5773 | |
87 | D | A | -3.2274 | |
88 | K | A | -2.4195 | |
89 | L | A | 0.0000 | |
90 | Y | A | -0.4198 | |
91 | P | A | -0.4726 | |
92 | F | A | 0.4968 | |
93 | T | A | 0.0000 | |
94 | W | A | 0.0000 | |
95 | D | A | -1.9430 | |
96 | A | A | 0.0000 | |
97 | V | A | 0.0000 | |
98 | R | A | -2.5732 | |
99 | Y | A | -2.1321 | |
100 | N | A | -2.1740 | |
101 | G | A | -2.2454 | |
102 | K | A | -2.9364 | |
103 | L | A | 0.0000 | |
104 | I | A | 0.0000 | |
105 | A | A | 0.0000 | |
106 | Y | A | 0.0000 | |
107 | P | A | 0.0000 | |
108 | I | A | 0.0000 | |
109 | A | A | 0.0000 | |
110 | V | A | 0.0000 | |
111 | E | A | 0.0000 | |
112 | A | A | 0.0000 | |
113 | L | A | 0.0000 | |
114 | S | A | 0.0000 | |
115 | L | A | 0.0000 | |
116 | I | A | 0.0000 | |
117 | Y | A | -0.5259 | |
118 | N | A | 0.0000 | |
119 | K | A | -2.1319 | |
120 | D | A | -2.3652 | |
121 | L | A | -1.2863 | |
122 | L | A | 0.0000 | |
123 | P | A | -1.7090 | |
124 | N | A | -1.9517 | |
125 | P | A | -1.1157 | |
126 | P | A | 0.0000 | |
127 | K | A | -2.1107 | |
128 | T | A | -1.8180 | |
129 | W | A | 0.0000 | |
130 | E | A | -1.7005 | |
131 | E | A | -1.4975 | |
132 | I | A | 0.0000 | |
133 | P | A | -1.5956 | |
134 | A | A | -1.2905 | |
135 | L | A | -1.3803 | |
136 | D | A | 0.0000 | |
137 | K | A | -3.2925 | |
138 | E | A | -3.3493 | |
139 | L | A | 0.0000 | |
140 | K | A | -3.2789 | |
141 | A | A | -2.4871 | |
142 | K | A | -3.0222 | |
143 | G | A | -2.4648 | |
144 | K | A | -2.7657 | |
145 | S | A | 0.0000 | |
146 | A | A | 0.0000 | |
147 | L | A | 0.0000 | |
148 | M | A | -0.1542 | |
149 | F | A | 0.0000 | |
150 | N | A | -0.5892 | |
151 | L | A | 0.0000 | |
152 | Q | A | -1.0497 | |
153 | E | A | -0.6546 | |
154 | P | A | 0.0000 | |
155 | Y | A | -0.1339 | |
156 | F | A | 0.0000 | |
157 | T | A | 0.0000 | |
158 | W | A | 0.0000 | |
159 | P | A | 0.0000 | |
160 | L | A | 0.0000 | |
161 | I | A | 0.0000 | |
162 | A | A | 0.0000 | |
163 | A | A | 0.0000 | |
164 | D | A | -1.7541 | |
165 | G | A | -0.8899 | |
166 | G | A | 0.0000 | |
167 | Y | A | -0.2442 | |
168 | A | A | 0.0000 | |
169 | F | A | 0.0000 | |
170 | K | A | -1.4292 | |
171 | Y | A | -0.9223 | |
172 | E | A | -2.9094 | |
173 | N | A | -2.7693 | |
174 | G | A | -2.2172 | |
175 | K | A | -2.5750 | |
176 | Y | A | -1.5548 | |
177 | D | A | -2.0794 | |
178 | I | A | -0.6797 | |
179 | K | A | -1.9065 | |
180 | D | A | -1.5809 | |
181 | V | A | 0.0000 | |
182 | G | A | 0.0000 | |
183 | V | A | 0.0000 | |
184 | D | A | -2.0896 | |
185 | N | A | -1.2651 | |
186 | A | A | -0.8011 | |
187 | G | A | 0.0000 | |
188 | A | A | 0.0000 | |
189 | K | A | -1.3932 | |
190 | A | A | -0.8375 | |
191 | G | A | 0.0000 | |
192 | L | A | 0.0000 | |
193 | T | A | -0.4733 | |
194 | F | A | -0.3991 | |
195 | L | A | 0.0000 | |
196 | V | A | -1.2125 | |
197 | D | A | -2.1834 | |
198 | L | A | 0.0000 | |
199 | I | A | -2.6002 | |
200 | K | A | -3.3785 | |
201 | N | A | -3.3293 | |
202 | K | A | -3.4289 | |
203 | H | A | -2.3143 | |
204 | M | A | 0.0000 | |
205 | N | A | -2.4951 | |
206 | A | A | -1.9412 | |
207 | D | A | -2.1738 | |
208 | T | A | 0.0000 | |
209 | D | A | -1.0555 | |
210 | Y | A | 0.0139 | |
211 | S | A | 0.2118 | |
212 | I | A | 0.6916 | |
213 | A | A | 0.0000 | |
214 | E | A | -0.4291 | |
215 | A | A | -0.6597 | |
216 | A | A | 0.0000 | |
217 | F | A | 0.0000 | |
218 | N | A | -2.0651 | |
219 | K | A | -2.5996 | |
220 | G | A | -2.1988 | |
221 | E | A | -2.7420 | |
222 | T | A | 0.0000 | |
223 | A | A | 0.0000 | |
224 | M | A | 0.0000 | |
225 | T | A | 0.0000 | |
226 | I | A | 0.0000 | |
227 | N | A | 0.0000 | |
228 | G | A | 0.0000 | |
229 | P | A | 0.0000 | |
230 | W | A | 0.0000 | |
231 | A | A | 0.0000 | |
232 | W | A | 0.0000 | |
233 | S | A | -1.5999 | |
234 | N | A | -1.7396 | |
235 | I | A | 0.0000 | |
236 | D | A | -2.1134 | |
237 | T | A | -1.5666 | |
238 | S | A | -1.9477 | |
239 | K | A | -2.5569 | |
240 | V | A | -2.0295 | |
241 | N | A | -1.8866 | |
242 | Y | A | -1.0772 | |
243 | G | A | -0.6775 | |
244 | V | A | 0.0652 | |
245 | T | A | -0.1193 | |
246 | V | A | -0.0528 | |
247 | L | A | 0.0000 | |
248 | P | A | 0.0000 | |
249 | T | A | -1.4672 | |
250 | F | A | 0.0000 | |
251 | K | A | -2.4990 | |
252 | G | A | -2.0874 | |
253 | Q | A | -1.9087 | |
254 | P | A | -1.2888 | |
255 | S | A | 0.0000 | |
256 | K | A | -1.1372 | |
257 | P | A | 0.0000 | |
258 | F | A | 0.0000 | |
259 | V | A | 0.0000 | |
260 | G | A | 0.0000 | |
261 | V | A | 0.0000 | |
262 | L | A | 0.0000 | |
263 | S | A | 0.0000 | |
264 | A | A | 0.0000 | |
265 | G | A | 0.0000 | |
266 | I | A | 0.0000 | |
267 | N | A | 0.0000 | |
268 | A | A | -0.7576 | |
269 | A | A | -0.6121 | |
270 | S | A | 0.0000 | |
271 | P | A | -0.9484 | |
272 | N | A | 0.0000 | |
273 | K | A | -1.6643 | |
274 | E | A | -2.4811 | |
275 | L | A | -1.4615 | |
276 | A | A | 0.0000 | |
277 | K | A | -2.2212 | |
278 | E | A | -2.4156 | |
279 | F | A | 0.0000 | |
280 | L | A | 0.0000 | |
281 | E | A | -1.4406 | |
282 | N | A | -1.8122 | |
283 | Y | A | -1.3750 | |
284 | L | A | 0.0000 | |
285 | L | A | 0.0000 | |
286 | T | A | -1.6780 | |
287 | D | A | -2.2880 | |
288 | E | A | -2.5594 | |
289 | G | A | 0.0000 | |
290 | L | A | 0.0000 | |
291 | E | A | -2.6195 | |
292 | A | A | 0.0000 | |
293 | V | A | 0.0000 | |
294 | N | A | -1.9653 | |
295 | K | A | -2.7021 | |
296 | D | A | -2.3762 | |
297 | K | A | -1.7412 | |
298 | P | A | -1.0710 | |
299 | L | A | 0.0000 | |
300 | G | A | 0.0000 | |
301 | A | A | 0.0000 | |
302 | V | A | 0.0000 | |
303 | A | A | 0.0000 | |
304 | L | A | 0.0000 | |
305 | K | A | -2.2167 | |
306 | S | A | -1.9828 | |
307 | Y | A | 0.0000 | |
308 | E | A | -2.2078 | |
309 | E | A | -3.3091 | |
310 | E | A | -3.3488 | |
311 | L | A | -2.2744 | |
312 | A | A | -2.1324 | |
313 | K | A | -2.7152 | |
314 | D | A | -1.7810 | |
315 | P | A | -1.0464 | |
316 | R | A | -0.8642 | |
317 | I | A | 0.0000 | |
318 | A | A | -0.8200 | |
319 | A | A | 0.0000 | |
320 | T | A | 0.0000 | |
321 | M | A | -0.7408 | |
322 | E | A | -1.8170 | |
323 | N | A | 0.0000 | |
324 | A | A | -1.2847 | |
325 | Q | A | -2.1849 | |
326 | K | A | -1.9735 | |
327 | G | A | -1.5687 | |
328 | E | A | -1.3164 | |
329 | I | A | -0.0174 | |
330 | M | A | 0.0000 | |
331 | P | A | 0.0000 | |
332 | N | A | -0.2042 | |
333 | I | A | -0.3348 | |
334 | P | A | -0.5389 | |
335 | Q | A | -0.2334 | |
336 | M | A | 0.0000 | |
337 | S | A | -0.1475 | |
338 | A | A | -0.3466 | |
339 | F | A | 0.0000 | |
340 | W | A | 0.0000 | |
341 | Y | A | 0.0780 | |
342 | A | A | 0.0000 | |
343 | V | A | 0.0000 | |
344 | R | A | -0.3968 | |
345 | T | A | -0.3190 | |
346 | A | A | 0.0000 | |
347 | V | A | 0.0000 | |
348 | I | A | -0.4348 | |
349 | N | A | -1.1788 | |
350 | A | A | 0.0000 | |
351 | A | A | -1.2498 | |
352 | S | A | -1.5736 | |
353 | G | A | -1.7741 | |
354 | R | A | -2.5589 | |
355 | Q | A | -2.3857 | |
356 | T | A | -2.1177 | |
357 | V | A | -2.2707 | |
358 | D | A | -3.6269 | |
359 | E | A | -4.0416 | |
360 | A | A | 0.0000 | |
361 | L | A | 0.0000 | |
362 | K | A | -4.2307 | |
363 | D | A | -3.9736 | |
364 | A | A | 0.0000 | |
365 | Q | A | -2.5657 | |
366 | T | A | -2.1951 | |
367 | R | A | -2.6205 | |
368 | I | A | 0.0000 | |
369 | T | A | -1.1101 |