Chain sequence(s) |
A: MIESVDSFLARLQQRDPGQPEFHQAVEEVLRTLWPFLEANPRYLQSGILERMVEPERAVLFRVSWVDDQGKVQVNRGYRIQMSSAIGPYKGGLRFHPSVNLSVLKFLAFEQVFKNSLTSLPMGGGKGGSDFDPKGKSDAEVMRFCQAFMSELYRHIGADCDVPAGDIGVGAREIGFMFGQYKRLANQFTSVLTGKGMTYGGSLIRPEATGYGCVYFAEEMLKRQGLRVDGRRVAISGSGNVAQYAARKVMDLGGKVISLSDSEGTLYAEGGLTEAQWEAVMQLKNVARGRISELAEAFGLEFRKGQTPWSLPCDIALPCATQNELGIEDARTLLRNGCICVAEGANMPTTLAAVDLFIDAGILYAPGKASNAGGVAVSGLEMSQNAMRLLWTAGEVDSKLHNIMQSIHHACVHYGEEADGKVNYVKGANIAGFVKVADAMLAQGVV
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | DE251A,GE394A,AK297A,QE282A,AV58A,AE275A,DE229A |
Energy difference between WT (input) and mutated protein (by FoldX) | -0.275619 kcal/mol |
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 A chain(s) selected (00:00:00) [INFO] runJob: Creating pdb object from: input.pdb (00:00:00) [INFO] FoldX: Starting FoldX energy minimalization (00:00:01) [INFO] FoldX: Building mutant model (00:04:33) [INFO] FoldX: Starting FoldX energy minimalization (00:06:17) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:52) [INFO] Main: Simulation completed successfully. (00:09:56) |
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 | M | A | 0.4482 | |
2 | I | A | -0.8057 | |
3 | E | A | -1.6802 | |
4 | S | A | -1.4293 | |
5 | V | A | -1.5590 | |
6 | D | A | -2.5539 | |
7 | S | A | -1.6841 | |
8 | F | A | 0.0000 | |
9 | L | A | -2.1126 | |
10 | A | A | -2.1029 | |
11 | R | A | -3.0958 | |
12 | L | A | 0.0000 | |
13 | Q | A | -2.8624 | |
14 | Q | A | -3.0041 | |
15 | R | A | -2.4836 | |
16 | D | A | -1.9162 | |
17 | P | A | -1.7873 | |
18 | G | A | -1.2323 | |
19 | Q | A | -1.1858 | |
20 | P | A | -1.2364 | |
21 | E | A | -1.1659 | |
22 | F | A | 0.0000 | |
23 | H | A | 0.0000 | |
24 | Q | A | -2.2177 | |
25 | A | A | 0.0000 | |
26 | V | A | 0.0000 | |
27 | E | A | -2.8907 | |
28 | E | A | -2.8671 | |
29 | V | A | 0.0000 | |
30 | L | A | 0.0000 | |
31 | R | A | -2.8208 | |
32 | T | A | -1.4908 | |
33 | L | A | 0.0000 | |
34 | W | A | -0.9585 | |
35 | P | A | -0.9910 | |
36 | F | A | -0.6509 | |
37 | L | A | 0.0000 | |
38 | E | A | -2.0202 | |
39 | A | A | -1.0953 | |
40 | N | A | -1.3256 | |
41 | P | A | -1.7298 | |
42 | R | A | -2.0436 | |
43 | Y | A | 0.0000 | |
44 | L | A | -1.2318 | |
45 | Q | A | -1.5683 | |
46 | S | A | -0.9450 | |
47 | G | A | -0.6631 | |
48 | I | A | 0.0000 | |
49 | L | A | 0.0000 | |
50 | E | A | -1.6023 | |
51 | R | A | -1.3403 | |
52 | M | A | 0.0000 | |
53 | V | A | 0.0000 | |
54 | E | A | -2.3953 | |
55 | P | A | -1.9398 | |
56 | E | A | -2.3391 | |
57 | R | A | -1.6794 | |
58 | V | A | 0.2660 | mutated: AV58A |
59 | V | A | 0.6326 | |
60 | L | A | 0.4443 | |
61 | F | A | -0.7986 | |
62 | R | A | -2.1451 | |
63 | V | A | 0.0000 | |
64 | S | A | -0.0301 | |
65 | W | A | 0.0000 | |
66 | V | A | 0.1569 | |
67 | D | A | -1.4736 | |
68 | D | A | -2.6011 | |
69 | Q | A | -2.3475 | |
70 | G | A | -1.7521 | |
71 | K | A | -1.4764 | |
72 | V | A | 0.8235 | |
73 | Q | A | 0.6019 | |
74 | V | A | 0.3669 | |
75 | N | A | -1.3200 | |
76 | R | A | -2.2933 | |
77 | G | A | 0.0000 | |
78 | Y | A | 0.0000 | |
79 | R | A | 0.0000 | |
80 | I | A | 0.0000 | |
81 | Q | A | 0.0000 | |
82 | M | A | 0.0000 | |
83 | S | A | 0.0000 | |
84 | S | A | -0.3186 | |
85 | A | A | -0.2713 | |
86 | I | A | -0.1961 | |
87 | G | A | -0.3405 | |
88 | P | A | -0.5598 | |
89 | Y | A | 0.0000 | |
90 | K | A | 0.0000 | |
91 | G | A | 0.0000 | |
92 | G | A | 0.0000 | |
93 | L | A | 0.0000 | |
94 | R | A | -0.1598 | |
95 | F | A | 0.0000 | |
96 | H | A | -0.9998 | |
97 | P | A | -1.2331 | |
98 | S | A | -0.7463 | |
99 | V | A | 0.0000 | |
100 | N | A | -1.0524 | |
101 | L | A | 0.1124 | |
102 | S | A | 0.0000 | |
103 | V | A | -0.0700 | |
104 | L | A | 0.0000 | |
105 | K | A | 0.0000 | |
106 | F | A | -0.0601 | |
107 | L | A | 0.1838 | |
108 | A | A | 0.0000 | |
109 | F | A | 0.0000 | |
110 | E | A | -0.4534 | |
111 | Q | A | -0.3236 | |
112 | V | A | 0.0000 | |
113 | F | A | 0.0000 | |
114 | K | A | -0.4279 | |
115 | N | A | 0.0000 | |
116 | S | A | 0.0000 | |
117 | L | A | 0.0000 | |
118 | T | A | 0.0000 | |
119 | S | A | -0.2225 | |
120 | L | A | 0.0453 | |
121 | P | A | -0.1607 | |
122 | M | A | 0.0000 | |
123 | G | A | 0.0000 | |
124 | G | A | 0.0000 | |
125 | G | A | 0.0000 | |
126 | K | A | 0.0000 | |
127 | G | A | 0.0000 | |
128 | G | A | 0.0000 | |
129 | S | A | 0.0000 | |
130 | D | A | -1.5743 | |
131 | F | A | 0.0000 | |
132 | D | A | -1.7587 | |
133 | P | A | -1.7592 | |
134 | K | A | -2.4360 | |
135 | G | A | -1.9588 | |
136 | K | A | -2.2201 | |
137 | S | A | -1.9638 | |
138 | D | A | -2.4542 | |
139 | A | A | -1.4268 | |
140 | E | A | -1.5298 | |
141 | V | A | 0.0000 | |
142 | M | A | -0.8348 | |
143 | R | A | -0.8774 | |
144 | F | A | 0.0000 | |
145 | C | A | 0.0000 | |
146 | Q | A | -0.5864 | |
147 | A | A | -0.6759 | |
148 | F | A | 0.0000 | |
149 | M | A | 0.0000 | |
150 | S | A | -0.9011 | |
151 | E | A | -1.4915 | |
152 | L | A | 0.0000 | |
153 | Y | A | -0.9417 | |
154 | R | A | -1.9733 | |
155 | H | A | -1.2694 | |
156 | I | A | 0.0000 | |
157 | G | A | -0.9573 | |
158 | A | A | -0.6143 | |
159 | D | A | -1.6795 | |
160 | C | A | -0.7205 | |
161 | D | A | 0.0000 | |
162 | V | A | 0.0000 | |
163 | P | A | 0.0000 | |
164 | A | A | -0.2797 | |
165 | G | A | -0.4773 | |
166 | D | A | 0.0080 | |
167 | I | A | 1.1388 | |
168 | G | A | -0.0856 | |
169 | V | A | 0.0000 | |
170 | G | A | -0.7715 | |
171 | A | A | -0.9982 | |
172 | R | A | -2.0395 | |
173 | E | A | 0.0000 | |
174 | I | A | 0.0000 | |
175 | G | A | -0.5945 | |
176 | F | A | -0.2484 | |
177 | M | A | 0.0000 | |
178 | F | A | 0.0000 | |
179 | G | A | -0.7278 | |
180 | Q | A | -1.0393 | |
181 | Y | A | 0.0000 | |
182 | K | A | -1.7604 | |
183 | R | A | -2.3161 | |
184 | L | A | -1.1966 | |
185 | A | A | -1.3754 | |
186 | N | A | -2.0958 | |
187 | Q | A | -1.3429 | |
188 | F | A | 0.6016 | |
189 | T | A | -0.1845 | |
190 | S | A | 0.0000 | |
191 | V | A | 0.0000 | |
192 | L | A | 0.0000 | |
193 | T | A | 0.0000 | |
194 | G | A | -0.4704 | |
195 | K | A | 0.0000 | |
196 | G | A | 0.1257 | |
197 | M | A | 1.0387 | |
198 | T | A | 0.4420 | |
199 | Y | A | 0.6717 | |
200 | G | A | 0.5628 | |
201 | G | A | 0.0000 | |
202 | S | A | 0.0000 | |
203 | L | A | 0.2404 | |
204 | I | A | -0.4206 | |
205 | R | A | -0.5194 | |
206 | P | A | -0.6127 | |
207 | E | A | -0.5735 | |
208 | A | A | 0.0000 | |
209 | T | A | -0.2082 | |
210 | G | A | 0.0000 | |
211 | Y | A | -0.0663 | |
212 | G | A | 0.0000 | |
213 | C | A | 0.0000 | |
214 | V | A | 0.0000 | |
215 | Y | A | 0.0000 | |
216 | F | A | 0.0000 | |
217 | A | A | 0.0000 | |
218 | E | A | -0.9777 | |
219 | E | A | 0.0000 | |
220 | M | A | 0.0000 | |
221 | L | A | 0.0000 | |
222 | K | A | -1.8151 | |
223 | R | A | -1.6403 | |
224 | Q | A | -1.7196 | |
225 | G | A | -1.3578 | |
226 | L | A | -1.3658 | |
227 | R | A | -2.4763 | |
228 | V | A | 0.0000 | |
229 | E | A | -3.0939 | mutated: DE229A |
230 | G | A | -2.1870 | |
231 | R | A | -2.1184 | |
232 | R | A | -1.8189 | |
233 | V | A | 0.0000 | |
234 | A | A | 0.0000 | |
235 | I | A | 0.0000 | |
236 | S | A | 0.0000 | |
237 | G | A | 0.0000 | |
238 | S | A | 0.0000 | |
239 | G | A | -0.9223 | |
240 | N | A | -1.2458 | |
241 | V | A | -0.3464 | |
242 | A | A | 0.0000 | |
243 | Q | A | 0.0000 | |
244 | Y | A | -0.2410 | |
245 | A | A | 0.0000 | |
246 | A | A | 0.0000 | |
247 | R | A | -1.1701 | |
248 | K | A | 0.0000 | |
249 | V | A | 0.0000 | |
250 | M | A | -1.7053 | |
251 | E | A | -2.1235 | mutated: DE251A |
252 | L | A | -1.6910 | |
253 | G | A | -2.1995 | |
254 | G | A | -2.3067 | |
255 | K | A | -2.2560 | |
256 | V | A | 0.0000 | |
257 | I | A | 0.0000 | |
258 | S | A | 0.0000 | |
259 | L | A | 0.0000 | |
260 | S | A | 0.0000 | |
261 | D | A | -1.3918 | |
262 | S | A | -1.3369 | |
263 | E | A | -2.0211 | |
264 | G | A | 0.0000 | |
265 | T | A | 0.0000 | |
266 | L | A | 0.0000 | |
267 | Y | A | -1.0413 | |
268 | A | A | 0.0000 | |
269 | E | A | -2.4452 | |
270 | G | A | -1.5992 | |
271 | G | A | -1.5724 | |
272 | L | A | 0.0000 | |
273 | T | A | -2.0223 | |
274 | E | A | -3.2381 | |
275 | E | A | -3.2894 | mutated: AE275A |
276 | Q | A | -2.4033 | |
277 | W | A | 0.0000 | |
278 | E | A | -3.2680 | |
279 | A | A | -2.5282 | |
280 | V | A | 0.0000 | |
281 | M | A | -1.9848 | |
282 | E | A | -2.2966 | mutated: QE282A |
283 | L | A | 0.0000 | |
284 | K | A | -1.9945 | |
285 | N | A | -1.5366 | |
286 | V | A | 0.0446 | |
287 | A | A | -0.9446 | |
288 | R | A | -2.2604 | |
289 | G | A | -2.1870 | |
290 | R | A | -2.6276 | |
291 | I | A | 0.0000 | |
292 | S | A | -2.7608 | |
293 | E | A | -3.2754 | |
294 | L | A | 0.0000 | |
295 | A | A | 0.0000 | |
296 | E | A | -3.5271 | |
297 | K | A | -3.0177 | mutated: AK297A |
298 | F | A | -1.8798 | |
299 | G | A | -1.8918 | |
300 | L | A | -1.9267 | |
301 | E | A | -2.4578 | |
302 | F | A | -2.0746 | |
303 | R | A | -2.2574 | |
304 | K | A | -2.9626 | |
305 | G | A | -2.2527 | |
306 | Q | A | -2.2081 | |
307 | T | A | -1.2833 | |
308 | P | A | 0.0000 | |
309 | W | A | 0.0000 | |
310 | S | A | -1.1638 | |
311 | L | A | 0.0000 | |
312 | P | A | -0.9366 | |
313 | C | A | 0.0000 | |
314 | D | A | -0.6408 | |
315 | I | A | 0.0000 | |
316 | A | A | 0.0000 | |
317 | L | A | 0.0000 | |
318 | P | A | 0.0000 | |
319 | C | A | 0.0000 | |
320 | A | A | -0.7059 | |
321 | T | A | -0.9400 | |
322 | Q | A | -1.5352 | |
323 | N | A | -1.5426 | |
324 | E | A | -1.0722 | |
325 | L | A | 0.0000 | |
326 | G | A | -0.8274 | |
327 | I | A | -0.8704 | |
328 | E | A | -2.3991 | |
329 | D | A | -1.9678 | |
330 | A | A | 0.0000 | |
331 | R | A | -2.8722 | |
332 | T | A | -2.2060 | |
333 | L | A | 0.0000 | |
334 | L | A | -1.5179 | |
335 | R | A | -2.4805 | |
336 | N | A | -1.5250 | |
337 | G | A | -0.8827 | |
338 | C | A | 0.0000 | |
339 | I | A | 0.4299 | |
340 | C | A | 0.0000 | |
341 | V | A | 0.0000 | |
342 | A | A | 0.0000 | |
343 | E | A | 0.0000 | |
344 | G | A | 0.0000 | |
345 | A | A | -0.6132 | |
346 | N | A | -1.0977 | |
347 | M | A | -0.2863 | |
348 | P | A | 0.0000 | |
349 | T | A | 0.0000 | |
350 | T | A | 0.2092 | |
351 | L | A | 1.0025 | |
352 | A | A | 0.2698 | |
353 | A | A | 0.0000 | |
354 | V | A | 0.0449 | |
355 | D | A | -1.4569 | |
356 | L | A | -1.0279 | |
357 | F | A | 0.0000 | |
358 | I | A | -1.0392 | |
359 | D | A | -2.0432 | |
360 | A | A | -1.0583 | |
361 | G | A | -1.0365 | |
362 | I | A | -0.0011 | |
363 | L | A | 0.1488 | |
364 | Y | A | 0.0000 | |
365 | A | A | 0.0000 | |
366 | P | A | -0.0614 | |
367 | G | A | 0.0000 | |
368 | K | A | -0.4332 | |
369 | A | A | 0.0000 | |
370 | S | A | 0.0000 | |
371 | N | A | 0.0000 | |
372 | A | A | 0.0000 | |
373 | G | A | 0.0000 | |
374 | G | A | -0.1468 | |
375 | V | A | 0.0567 | |
376 | A | A | 0.0000 | |
377 | V | A | 0.0000 | |
378 | S | A | -0.0459 | |
379 | G | A | 0.0000 | |
380 | L | A | 0.0000 | |
381 | E | A | 0.0000 | |
382 | M | A | -0.3264 | |
383 | S | A | 0.1333 | |
384 | Q | A | 0.0000 | |
385 | N | A | 0.0710 | |
386 | A | A | -0.3093 | |
387 | M | A | 0.2492 | |
388 | R | A | -0.6771 | |
389 | L | A | 1.3090 | |
390 | L | A | 1.5718 | |
391 | W | A | 0.4912 | |
392 | T | A | -0.4196 | |
393 | A | A | -1.0528 | |
394 | E | A | -2.4298 | mutated: GE394A |
395 | E | A | -1.9737 | |
396 | V | A | 0.0000 | |
397 | D | A | -1.7317 | |
398 | S | A | -1.8275 | |
399 | K | A | -1.8106 | |
400 | L | A | 0.0000 | |
401 | H | A | -1.3392 | |
402 | N | A | -1.7953 | |
403 | I | A | 0.0000 | |
404 | M | A | 0.0000 | |
405 | Q | A | -1.1978 | |
406 | S | A | -0.9624 | |
407 | I | A | 0.0000 | |
408 | H | A | 0.0000 | |
409 | H | A | -1.2454 | |
410 | A | A | -0.8974 | |
411 | C | A | 0.0000 | |
412 | V | A | -1.4819 | |
413 | H | A | -1.4827 | |
414 | Y | A | -0.8349 | |
415 | G | A | 0.0000 | |
416 | E | A | -2.9280 | |
417 | E | A | -3.1958 | |
418 | A | A | -2.1633 | |
419 | D | A | -2.9993 | |
420 | G | A | -2.6320 | |
421 | K | A | -3.0885 | |
422 | V | A | -1.9191 | |
423 | N | A | -1.1681 | |
424 | Y | A | 0.0000 | |
425 | V | A | 0.1766 | |
426 | K | A | -0.5811 | |
427 | G | A | 0.0000 | |
428 | A | A | 0.0000 | |
429 | N | A | 0.0000 | |
430 | I | A | 0.0000 | |
431 | A | A | 0.0000 | |
432 | G | A | 0.0000 | |
433 | F | A | 0.0000 | |
434 | V | A | 0.0000 | |
435 | K | A | -0.7440 | |
436 | V | A | 0.0000 | |
437 | A | A | 0.0000 | |
438 | D | A | -1.1138 | |
439 | A | A | -0.7220 | |
440 | M | A | 0.0000 | |
441 | L | A | -0.0132 | |
442 | A | A | -0.4123 | |
443 | Q | A | -0.4020 | |
444 | G | A | 0.6536 | |
445 | V | A | 2.2630 | |
446 | V | A | 2.0974 |