Chain sequence(s) |
A: MPPRLKAEEIQVAQLENDFERHYRNYLAEKYGTKLQAISGIHYNMELGKDLVEALFQESGQTDMIAFKNALYLKLAQNYLRYRWVITYLFGASPIAEQGFFDQEVPEPVRSFRNSDHGYVNKEEIQVSFVSLEDYVSAIETYIEQGDLNAEKEFYSAVRFRGQKVNRSFLDKGITYLEFRNFDLNPFERIGISQTTMDTVHLLILAFLWLDSPENVDQALAQGHALNEKIALSHPLEPLPSEAKTQDIVTALDQLVQHFGLGDYHQDLVKQVKAAFADPNQTLSAQLLPYIKDKSLAEFALNKALAYHDYDWTAHYALKGYEEMELSTQMLLFDAIQKGIHFEILDEQDQFLKLWHQDHVEYVKNGNMTSKDNYVVPLAMANKTVTKKILADAGFPVPSGDEFTSLEEGLAYYPLIKDKQIVVKPKSTNFGLGISIFQEPASLDNYQKALEIAFAEDTSVLVEEFIPGTEYRFFILDGRCEAVLLRVAANVIGDGKHTIRELVAQKNANPLRGRDHRSPLEIIELGDIEQLMLAQQGYTPGRHPAGR
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] (00:00:00) [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] Analysis: Starting Aggrescan3D on folded.pdb (00:06:26) [INFO] Main: Simulation completed successfully. (00:06:30) |
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 | 0.1964 | |
2 | P | A | 0.0000 | |
3 | P | A | -1.0921 | |
4 | R | A | -2.4930 | |
5 | L | A | -2.4354 | |
6 | K | A | -3.1877 | |
7 | A | A | -2.3925 | |
8 | E | A | -3.3469 | |
9 | E | A | -3.3040 | |
10 | I | A | -2.0121 | |
11 | Q | A | -1.9108 | |
12 | V | A | -1.2481 | |
13 | A | A | -1.3124 | |
14 | Q | A | -2.1735 | |
15 | L | A | -2.0506 | |
16 | E | A | -2.6900 | |
17 | N | A | -2.3916 | |
18 | D | A | -2.1152 | |
19 | F | A | -0.4025 | |
20 | E | A | -2.1919 | |
21 | R | A | -2.5266 | |
22 | H | A | -1.7677 | |
23 | Y | A | -1.5874 | |
24 | R | A | -2.1869 | |
25 | N | A | -2.0715 | |
26 | Y | A | -1.7047 | |
27 | L | A | 0.0000 | |
28 | A | A | -1.7113 | |
29 | E | A | -2.2846 | |
30 | K | A | -1.4856 | |
31 | Y | A | -0.6925 | |
32 | G | A | -0.9835 | |
33 | T | A | -1.7229 | |
34 | K | A | -1.1242 | |
35 | L | A | -0.1386 | |
36 | Q | A | -0.5744 | |
37 | A | A | -0.2555 | |
38 | I | A | 0.0000 | |
39 | S | A | -0.0815 | |
40 | G | A | 0.0510 | |
41 | I | A | 0.1168 | |
42 | H | A | -0.8897 | |
43 | Y | A | -0.8155 | |
44 | N | A | -1.7998 | |
45 | M | A | -1.5439 | |
46 | E | A | -2.4025 | |
47 | L | A | 0.0000 | |
48 | G | A | -2.1272 | |
49 | K | A | -3.1737 | |
50 | D | A | -2.7940 | |
51 | L | A | -1.1077 | |
52 | V | A | 0.0000 | |
53 | E | A | -2.6350 | |
54 | A | A | -1.6748 | |
55 | L | A | -1.0025 | |
56 | F | A | -1.5778 | |
57 | Q | A | -2.4253 | |
58 | E | A | -2.6452 | |
59 | S | A | -1.7618 | |
60 | G | A | -1.8243 | |
61 | Q | A | -1.7224 | |
62 | T | A | -1.1577 | |
63 | D | A | -1.2208 | |
64 | M | A | -0.5406 | |
65 | I | A | -0.4312 | |
66 | A | A | -0.5017 | |
67 | F | A | -0.2120 | |
68 | K | A | -0.2567 | |
69 | N | A | 0.0000 | |
70 | A | A | 0.1307 | |
71 | L | A | 0.2170 | |
72 | Y | A | 0.0000 | |
73 | L | A | 0.0000 | |
74 | K | A | -0.3099 | |
75 | L | A | 0.0000 | |
76 | A | A | 0.0000 | |
77 | Q | A | 0.0000 | |
78 | N | A | 0.0000 | |
79 | Y | A | 0.0000 | |
80 | L | A | 0.0000 | |
81 | R | A | -0.8493 | |
82 | Y | A | 0.0000 | |
83 | R | A | 0.0000 | |
84 | W | A | 0.0000 | |
85 | V | A | 0.0000 | |
86 | I | A | 0.0000 | |
87 | T | A | 0.0000 | |
88 | Y | A | 0.0000 | |
89 | L | A | 0.0000 | |
90 | F | A | 0.2874 | |
91 | G | A | 0.0000 | |
92 | A | A | 0.2034 | |
93 | S | A | 0.0000 | |
94 | P | A | 0.0000 | |
95 | I | A | 0.0000 | |
96 | A | A | 0.0000 | |
97 | E | A | 0.0000 | |
98 | Q | A | -2.3395 | |
99 | G | A | -2.2629 | |
100 | F | A | 0.0000 | |
101 | F | A | -1.6067 | |
102 | D | A | -2.7685 | |
103 | Q | A | -2.8145 | |
104 | E | A | -2.8223 | |
105 | V | A | -1.2460 | |
106 | P | A | -0.8151 | |
107 | E | A | -0.9905 | |
108 | P | A | -0.4794 | |
109 | V | A | 0.0000 | |
110 | R | A | 0.0000 | |
111 | S | A | 0.0000 | |
112 | F | A | 0.0000 | |
113 | R | A | 0.0000 | |
114 | N | A | -0.5382 | |
115 | S | A | 0.0000 | |
116 | D | A | -1.9632 | |
117 | H | A | -0.8794 | |
118 | G | A | 0.0000 | |
119 | Y | A | -0.0707 | |
120 | V | A | -0.5362 | |
121 | N | A | -1.6254 | |
122 | K | A | -2.8098 | |
123 | E | A | -3.3904 | |
124 | E | A | -3.4112 | |
125 | I | A | 0.0000 | |
126 | Q | A | -2.2604 | |
127 | V | A | -0.8107 | |
128 | S | A | -0.6407 | |
129 | F | A | 0.0000 | |
130 | V | A | 0.3393 | |
131 | S | A | -0.3610 | |
132 | L | A | 0.0000 | |
133 | E | A | -2.3809 | |
134 | D | A | -1.9408 | |
135 | Y | A | 0.0000 | |
136 | V | A | 0.0000 | |
137 | S | A | -1.2980 | |
138 | A | A | -1.0679 | |
139 | I | A | 0.0000 | |
140 | E | A | -1.2833 | |
141 | T | A | -1.1300 | |
142 | Y | A | -1.6260 | |
143 | I | A | -1.5728 | |
144 | E | A | -2.6258 | |
145 | Q | A | -2.4841 | |
146 | G | A | -2.0698 | |
147 | D | A | -2.0543 | |
148 | L | A | 0.0000 | |
149 | N | A | -1.8888 | |
150 | A | A | -1.4213 | |
151 | E | A | -1.4289 | |
152 | K | A | -1.9867 | |
153 | E | A | 0.0000 | |
154 | F | A | 0.0000 | |
155 | Y | A | -0.2406 | |
156 | S | A | 0.0721 | |
157 | A | A | -0.1672 | |
158 | V | A | 0.0000 | |
159 | R | A | -0.7390 | |
160 | F | A | 0.0000 | |
161 | R | A | -1.4975 | |
162 | G | A | -1.4676 | |
163 | Q | A | -1.6201 | |
164 | K | A | -1.8081 | |
165 | V | A | -0.8202 | |
166 | N | A | 0.0000 | |
167 | R | A | -1.8261 | |
168 | S | A | -1.6467 | |
169 | F | A | 0.0000 | |
170 | L | A | -1.4869 | |
171 | D | A | -2.4680 | |
172 | K | A | -2.5587 | |
173 | G | A | 0.0000 | |
174 | I | A | 0.0000 | |
175 | T | A | -0.9527 | |
176 | Y | A | -1.2287 | |
177 | L | A | 0.0000 | |
178 | E | A | 0.0000 | |
179 | F | A | 0.0000 | |
180 | R | A | -0.6049 | |
181 | N | A | 0.0000 | |
182 | F | A | 0.0000 | |
183 | D | A | 0.0000 | |
184 | L | A | 0.9136 | |
185 | N | A | 0.3948 | |
186 | P | A | 0.0856 | |
187 | F | A | -0.0529 | |
188 | E | A | -0.5232 | |
189 | R | A | -0.6378 | |
190 | I | A | 1.3882 | |
191 | G | A | 0.0000 | |
192 | I | A | 0.0000 | |
193 | S | A | -0.5676 | |
194 | Q | A | -1.2983 | |
195 | T | A | -0.6334 | |
196 | T | A | -0.4422 | |
197 | M | A | -0.4323 | |
198 | D | A | -0.5808 | |
199 | T | A | 0.0000 | |
200 | V | A | 0.0000 | |
201 | H | A | -0.3033 | |
202 | L | A | 0.0000 | |
203 | L | A | 0.0000 | |
204 | I | A | 0.0000 | |
205 | L | A | 0.4948 | |
206 | A | A | 0.0000 | |
207 | F | A | 0.0000 | |
208 | L | A | 0.2100 | |
209 | W | A | 0.1730 | |
210 | L | A | -0.4492 | |
211 | D | A | -1.8838 | |
212 | S | A | -1.5346 | |
213 | P | A | 0.0000 | |
214 | E | A | -2.7650 | |
215 | N | A | -2.5222 | |
216 | V | A | -1.6072 | |
217 | D | A | -2.1686 | |
218 | Q | A | -2.6843 | |
219 | A | A | -2.0381 | |
220 | L | A | 0.0000 | |
221 | A | A | -1.5104 | |
222 | Q | A | -1.9801 | |
223 | G | A | 0.0000 | |
224 | H | A | -1.4778 | |
225 | A | A | -1.2351 | |
226 | L | A | 0.0000 | |
227 | N | A | 0.0000 | |
228 | E | A | -1.5681 | |
229 | K | A | -1.5135 | |
230 | I | A | 0.0000 | |
231 | A | A | 0.0000 | |
232 | L | A | -0.6116 | |
233 | S | A | -0.8866 | |
234 | H | A | -0.9737 | |
235 | P | A | 0.0000 | |
236 | L | A | -0.9509 | |
237 | E | A | -1.6527 | |
238 | P | A | -1.0386 | |
239 | L | A | -0.9456 | |
240 | P | A | -1.3395 | |
241 | S | A | -1.4182 | |
242 | E | A | -2.4918 | |
243 | A | A | 0.0000 | |
244 | K | A | -2.6773 | |
245 | T | A | -1.7247 | |
246 | Q | A | -1.8767 | |
247 | D | A | -1.3374 | |
248 | I | A | 0.0000 | |
249 | V | A | -1.2000 | |
250 | T | A | -0.9121 | |
251 | A | A | 0.0000 | |
252 | L | A | 0.0000 | |
253 | D | A | -2.0846 | |
254 | Q | A | -1.6421 | |
255 | L | A | 0.0000 | |
256 | V | A | 0.0000 | |
257 | Q | A | -1.9175 | |
258 | H | A | -1.0923 | |
259 | F | A | 0.8076 | |
260 | G | A | -0.6351 | |
261 | L | A | -0.5335 | |
262 | G | A | -1.4591 | |
263 | D | A | -2.4940 | |
264 | Y | A | -1.2607 | |
265 | H | A | -2.0137 | |
266 | Q | A | -3.4366 | |
267 | D | A | -3.5700 | |
268 | L | A | 0.0000 | |
269 | V | A | 0.0000 | |
270 | K | A | -3.2843 | |
271 | Q | A | -2.7082 | |
272 | V | A | 0.0000 | |
273 | K | A | -1.7049 | |
274 | A | A | -1.4953 | |
275 | A | A | 0.0000 | |
276 | F | A | -0.8159 | |
277 | A | A | -0.6733 | |
278 | D | A | -1.4028 | |
279 | P | A | 0.0000 | |
280 | N | A | -2.1849 | |
281 | Q | A | -2.0138 | |
282 | T | A | 0.0000 | |
283 | L | A | -0.5044 | |
284 | S | A | 0.0000 | |
285 | A | A | 0.0000 | |
286 | Q | A | -1.2211 | |
287 | L | A | 0.0000 | |
288 | L | A | -0.1279 | |
289 | P | A | -0.1500 | |
290 | Y | A | -0.2588 | |
291 | I | A | -1.1019 | |
292 | K | A | -2.8805 | |
293 | D | A | -3.0798 | |
294 | K | A | -2.8064 | |
295 | S | A | 0.0000 | |
296 | L | A | -0.6995 | |
297 | A | A | -1.0952 | |
298 | E | A | -1.6617 | |
299 | F | A | -0.7062 | |
300 | A | A | 0.1383 | |
301 | L | A | 0.6839 | |
302 | N | A | -0.7102 | |
303 | K | A | -0.7948 | |
304 | A | A | 0.0253 | |
305 | L | A | 0.6790 | |
306 | A | A | -0.2237 | |
307 | Y | A | -0.3372 | |
308 | H | A | -1.2437 | |
309 | D | A | -1.1724 | |
310 | Y | A | -0.0951 | |
311 | D | A | -1.2307 | |
312 | W | A | -0.1881 | |
313 | T | A | -0.3077 | |
314 | A | A | -0.3268 | |
315 | H | A | -0.6237 | |
316 | Y | A | -0.1972 | |
317 | A | A | -0.8622 | |
318 | L | A | -0.5399 | |
319 | K | A | -1.2141 | |
320 | G | A | -1.0627 | |
321 | Y | A | -1.3728 | |
322 | E | A | -2.2885 | |
323 | E | A | -3.1748 | |
324 | M | A | 0.0000 | |
325 | E | A | -2.4029 | |
326 | L | A | -0.9953 | |
327 | S | A | -0.3907 | |
328 | T | A | 0.0000 | |
329 | Q | A | 0.0000 | |
330 | M | A | 0.4652 | |
331 | L | A | -0.0206 | |
332 | L | A | 0.0000 | |
333 | F | A | 0.0650 | |
334 | D | A | -1.6781 | |
335 | A | A | 0.0000 | |
336 | I | A | -0.1873 | |
337 | Q | A | -1.8629 | |
338 | K | A | -2.5270 | |
339 | G | A | -1.4918 | |
340 | I | A | -0.9675 | |
341 | H | A | -0.8843 | |
342 | F | A | -0.2129 | |
343 | E | A | -1.2295 | |
344 | I | A | -0.8157 | |
345 | L | A | -0.3757 | |
346 | D | A | -2.1769 | |
347 | E | A | -3.2894 | |
348 | Q | A | -3.1316 | |
349 | D | A | -2.4766 | |
350 | Q | A | 0.0000 | |
351 | F | A | -0.6721 | |
352 | L | A | 0.0000 | |
353 | K | A | -0.2569 | |
354 | L | A | 0.0000 | |
355 | W | A | -1.1513 | |
356 | H | A | -2.2564 | |
357 | Q | A | -2.6002 | |
358 | D | A | -2.7781 | |
359 | H | A | -2.1418 | |
360 | V | A | -0.5624 | |
361 | E | A | -0.5686 | |
362 | Y | A | 0.6271 | |
363 | V | A | 0.0000 | |
364 | K | A | -0.4545 | |
365 | N | A | -1.0895 | |
366 | G | A | -0.6365 | |
367 | N | A | -1.3771 | |
368 | M | A | -0.7452 | |
369 | T | A | -1.1952 | |
370 | S | A | -1.4740 | |
371 | K | A | -2.8893 | |
372 | D | A | -1.9439 | |
373 | N | A | -0.7370 | |
374 | Y | A | 1.4101 | |
375 | V | A | 2.6551 | |
376 | V | A | 1.8449 | |
377 | P | A | 1.4825 | |
378 | L | A | 2.1703 | |
379 | A | A | 0.0000 | |
380 | M | A | 1.3480 | |
381 | A | A | 0.3018 | |
382 | N | A | -0.1973 | |
383 | K | A | -1.0908 | |
384 | T | A | -0.7186 | |
385 | V | A | 0.6719 | |
386 | T | A | 0.6891 | |
387 | K | A | -0.0887 | |
388 | K | A | -0.7180 | |
389 | I | A | 1.3276 | |
390 | L | A | 1.2320 | |
391 | A | A | 0.1204 | |
392 | D | A | -1.1618 | |
393 | A | A | 0.0191 | |
394 | G | A | 0.1867 | |
395 | F | A | 1.6918 | |
396 | P | A | 0.6770 | |
397 | V | A | 0.8219 | |
398 | P | A | -0.0201 | |
399 | S | A | -0.5838 | |
400 | G | A | -1.2692 | |
401 | D | A | -2.0173 | |
402 | E | A | -1.5700 | |
403 | F | A | 0.0000 | |
404 | T | A | -0.7243 | |
405 | S | A | -1.1444 | |
406 | L | A | -1.3870 | |
407 | E | A | -2.3707 | |
408 | E | A | -2.3069 | |
409 | G | A | 0.0000 | |
410 | L | A | -0.7528 | |
411 | A | A | -0.4742 | |
412 | Y | A | -0.3081 | |
413 | Y | A | -0.0710 | |
414 | P | A | 0.1135 | |
415 | L | A | 0.6921 | |
416 | I | A | 0.0000 | |
417 | K | A | -2.3096 | |
418 | D | A | -3.2815 | |
419 | K | A | -3.2738 | |
420 | Q | A | -2.2541 | |
421 | I | A | 0.0000 | |
422 | V | A | 0.7216 | |
423 | V | A | 0.0000 | |
424 | K | A | 0.2721 | |
425 | P | A | 0.0000 | |
426 | K | A | -1.1993 | |
427 | S | A | -1.1642 | |
428 | T | A | -0.5812 | |
429 | N | A | -0.0753 | |
430 | F | A | 1.6860 | |
431 | G | A | 1.0751 | |
432 | L | A | 1.6151 | |
433 | G | A | 0.7132 | |
434 | I | A | 1.5221 | |
435 | S | A | 1.2101 | |
436 | I | A | 1.4230 | |
437 | F | A | -0.5651 | |
438 | Q | A | -1.6869 | |
439 | E | A | -2.9981 | |
440 | P | A | -2.7973 | |
441 | A | A | 0.0000 | |
442 | S | A | -1.2634 | |
443 | L | A | -0.5749 | |
444 | D | A | -2.0992 | |
445 | N | A | -1.9489 | |
446 | Y | A | 0.0000 | |
447 | Q | A | -1.8285 | |
448 | K | A | -2.0785 | |
449 | A | A | 0.0000 | |
450 | L | A | 0.0000 | |
451 | E | A | -1.3119 | |
452 | I | A | 0.2826 | |
453 | A | A | 0.0000 | |
454 | F | A | -0.4864 | |
455 | A | A | -0.3647 | |
456 | E | A | -1.1834 | |
457 | D | A | -1.0520 | |
458 | T | A | -0.4617 | |
459 | S | A | 0.0000 | |
460 | V | A | 0.0000 | |
461 | L | A | 0.0000 | |
462 | V | A | 0.0000 | |
463 | E | A | 0.0000 | |
464 | E | A | -0.7416 | |
465 | F | A | 0.2415 | |
466 | I | A | 1.4707 | |
467 | P | A | -0.0360 | |
468 | G | A | -0.3946 | |
469 | T | A | -0.5133 | |
470 | E | A | -1.2392 | |
471 | Y | A | 0.8281 | |
472 | R | A | 0.6135 | |
473 | F | A | 2.8032 | |
474 | F | A | 2.4266 | |
475 | I | A | 1.9577 | |
476 | L | A | 0.7434 | |
477 | D | A | -1.7630 | |
478 | G | A | -1.2608 | |
479 | R | A | -1.4740 | |
480 | C | A | 0.4270 | |
481 | E | A | -0.6729 | |
482 | A | A | 1.0529 | |
483 | V | A | 2.9252 | |
484 | L | A | 2.4978 | |
485 | L | A | 1.5624 | |
486 | R | A | -0.4306 | |
487 | V | A | 0.9809 | |
488 | A | A | 0.3722 | |
489 | A | A | -0.2411 | |
490 | N | A | 0.0683 | |
491 | V | A | 0.2228 | |
492 | I | A | 1.1233 | |
493 | G | A | -1.1738 | |
494 | D | A | -2.3982 | |
495 | G | A | -2.7016 | |
496 | K | A | -3.1747 | |
497 | H | A | -3.1608 | |
498 | T | A | -3.0698 | |
499 | I | A | 0.0000 | |
500 | R | A | -3.4222 | |
501 | E | A | -3.1637 | |
502 | L | A | 0.0000 | |
503 | V | A | 0.0000 | |
504 | A | A | -1.9017 | |
505 | Q | A | -2.2317 | |
506 | K | A | -1.5045 | |
507 | N | A | -1.2779 | |
508 | A | A | -0.9275 | |
509 | N | A | -0.9974 | |
510 | P | A | -0.6304 | |
511 | L | A | -0.2159 | |
512 | R | A | -0.6742 | |
513 | G | A | -1.2304 | |
514 | R | A | -2.1332 | |
515 | D | A | -2.8911 | |
516 | H | A | -2.6878 | |
517 | R | A | -2.9232 | |
518 | S | A | 0.0000 | |
519 | P | A | -0.4508 | |
520 | L | A | -0.3954 | |
521 | E | A | -1.1020 | |
522 | I | A | -0.5487 | |
523 | I | A | -0.7541 | |
524 | E | A | -1.8841 | |
525 | L | A | -0.9845 | |
526 | G | A | -1.0758 | |
527 | D | A | -1.0937 | |
528 | I | A | 0.9638 | |
529 | E | A | -0.2877 | |
530 | Q | A | -0.3978 | |
531 | L | A | 0.6594 | |
532 | M | A | 0.7072 | |
533 | L | A | -0.2084 | |
534 | A | A | -0.2797 | |
535 | Q | A | -1.3338 | |
536 | Q | A | -1.4861 | |
537 | G | A | -1.1800 | |
538 | Y | A | -0.9401 | |
539 | T | A | -1.3027 | |
540 | P | A | -1.7857 | |
541 | G | A | -2.2746 | |
542 | R | A | -3.0638 | |
543 | H | A | -3.3024 | |
544 | P | A | 0.0000 | |
545 | A | A | -1.6827 | |
546 | G | A | -2.1706 | |
547 | R | A | -2.0328 |