Chain sequence(s) |
A: MVMEKPSPLLVGREFVRQYYTLLNKAPEYLHRFYGRNSSYVHGGVDASGKPQEAVYGQNDIHHKVLSLNFSECHTKIRHVDAHATLSDGVVVQVMGLLSNSGQPERKFMQTFVLAPEGSVPNKFYVHNDMFRYEDEVFGDSEPELDEESEDEVEEEQEERQPSPEPVQENANSGYYEAHPVTNGIEEPLEESSHEPEPEPESETKTEELKPQVEEKNLEELEEKSTTPPPAEPVSLPQEPPKAFSWASVTSKNLPPSGTVSSSGIPPHVKAPVSQPRVEAKPEVQSQPPRVREQRPRERPGFPPRGPRPGRGDMEQNDSDNRRIIRYPDSHQLFVGNLPHDIDENELKEFFMSFGNVVELRINTKGVGGKLPNFGFVVFDDSEPVQRILIAKPIMFRGEVRLNVEEKKTRAARERETRGGGDDRRDIRRNDRGPGGPRGIVGGGMMRDRDGRGPPPRGGMAQKLGSGRGTGQMEGRFTGQRR
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | ED28A,YM29A,KQ25A |
Energy difference between WT (input) and mutated protein (by FoldX) | 1.46783 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
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 (00:00:00) [INFO] FoldX: Building mutant model (00:01:51) [INFO] FoldX: Starting FoldX energy minimalization (00:02:20) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:50) [INFO] Main: Simulation completed successfully. (00:03:54) |
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 | 1.8810 | |
2 | V | A | 1.9658 | |
3 | M | A | 0.3877 | |
4 | E | A | -1.8875 | |
5 | K | A | -2.4081 | |
6 | P | A | -0.9593 | |
7 | S | A | -0.1055 | |
8 | P | A | -0.2038 | |
9 | L | A | 0.9156 | |
10 | L | A | 0.7121 | |
11 | V | A | -0.2483 | |
12 | G | A | 0.0000 | |
13 | R | A | -2.1188 | |
14 | E | A | -2.0029 | |
15 | F | A | -1.2702 | |
16 | V | A | 0.0000 | |
17 | R | A | -3.0063 | |
18 | Q | A | -2.4029 | |
19 | Y | A | 0.0000 | |
20 | Y | A | 0.0000 | |
21 | T | A | -1.4410 | |
22 | L | A | -1.0229 | |
23 | L | A | 0.0000 | |
24 | N | A | -1.8519 | |
25 | Q | A | -1.9272 | mutated: KQ25A |
26 | A | A | -1.1017 | |
27 | P | A | -1.2033 | |
28 | D | A | -1.5539 | mutated: ED28A |
29 | M | A | -0.5773 | mutated: YM29A |
30 | L | A | 0.0000 | |
31 | H | A | -1.8347 | |
32 | R | A | -2.0759 | |
33 | F | A | -0.7114 | |
34 | Y | A | 0.0000 | |
35 | G | A | -1.9526 | |
36 | R | A | -2.8624 | |
37 | N | A | -2.0820 | |
38 | S | A | 0.0000 | |
39 | S | A | 0.0000 | |
40 | Y | A | 0.0000 | |
41 | V | A | 0.0000 | |
42 | H | A | 0.0000 | |
43 | G | A | 0.0000 | |
44 | G | A | -0.2302 | |
45 | V | A | 0.0091 | |
46 | D | A | -1.3216 | |
47 | A | A | -0.6519 | |
48 | S | A | -0.9970 | |
49 | G | A | -1.2736 | |
50 | K | A | -2.1810 | |
51 | P | A | -1.3232 | |
52 | Q | A | -1.7084 | |
53 | E | A | -2.0314 | |
54 | A | A | -0.6324 | |
55 | V | A | -0.2166 | |
56 | Y | A | -0.1501 | |
57 | G | A | -1.7443 | |
58 | Q | A | -2.7680 | |
59 | N | A | -2.8952 | |
60 | D | A | -2.3193 | |
61 | I | A | 0.0000 | |
62 | H | A | -2.0993 | |
63 | H | A | -1.9329 | |
64 | K | A | -1.0748 | |
65 | V | A | 0.0000 | |
66 | L | A | -0.2436 | |
67 | S | A | -0.3254 | |
68 | L | A | -0.2264 | |
69 | N | A | -1.2205 | |
70 | F | A | -1.2155 | |
71 | S | A | -1.7558 | |
72 | E | A | -2.8728 | |
73 | C | A | 0.0000 | |
74 | H | A | -2.5346 | |
75 | T | A | -2.0673 | |
76 | K | A | -2.6121 | |
77 | I | A | -1.7871 | |
78 | R | A | -2.4879 | |
79 | H | A | -2.4718 | |
80 | V | A | -1.7686 | |
81 | D | A | -2.2510 | |
82 | A | A | -0.8515 | |
83 | H | A | -0.8063 | |
84 | A | A | -0.1863 | |
85 | T | A | 0.1702 | |
86 | L | A | 0.9615 | |
87 | S | A | -0.3384 | |
88 | D | A | -1.3955 | |
89 | G | A | 0.0000 | |
90 | V | A | 0.0000 | |
91 | V | A | 0.1716 | |
92 | V | A | 0.0000 | |
93 | Q | A | -1.4297 | |
94 | V | A | 0.0000 | |
95 | M | A | -1.2839 | |
96 | G | A | 0.0000 | |
97 | L | A | -1.9734 | |
98 | L | A | 0.0000 | |
99 | S | A | 0.0000 | |
100 | N | A | -1.9626 | |
101 | S | A | -1.6828 | |
102 | G | A | -1.9698 | |
103 | Q | A | -2.4754 | |
104 | P | A | -2.0134 | |
105 | E | A | -3.1154 | |
106 | R | A | -2.6721 | |
107 | K | A | -2.4446 | |
108 | F | A | 0.0000 | |
109 | M | A | -0.1974 | |
110 | Q | A | 0.0000 | |
111 | T | A | -0.2071 | |
112 | F | A | 0.0000 | |
113 | V | A | 0.2859 | |
114 | L | A | 0.0000 | |
115 | A | A | -0.3943 | |
116 | P | A | -1.0883 | |
117 | E | A | -0.9267 | |
118 | G | A | -0.5690 | |
119 | S | A | -0.1884 | |
120 | V | A | 0.5643 | |
121 | P | A | -0.6592 | |
122 | N | A | -1.7744 | |
123 | K | A | -1.1700 | |
124 | F | A | -0.4390 | |
125 | Y | A | -0.2692 | |
126 | V | A | 0.0000 | |
127 | H | A | -0.5702 | |
128 | N | A | -0.1048 | |
129 | D | A | 0.0000 | |
130 | M | A | 0.2912 | |
131 | F | A | 0.0000 | |
132 | R | A | -0.5015 | |
133 | Y | A | -0.6857 | |
134 | E | A | -0.8083 | |
135 | D | A | -1.6701 | |
136 | E | A | -0.4827 | |
137 | V | A | 1.2739 | |
138 | F | A | 0.8038 | |
139 | G | A | -1.2851 | |
140 | D | A | -2.0419 | |
141 | S | A | -1.7577 | |
142 | E | A | -2.6801 | |
143 | P | A | -2.3875 | |
144 | E | A | -2.6368 | |
145 | L | A | -1.4571 | |
146 | D | A | -3.2809 | |
147 | E | A | -3.8703 | |
148 | E | A | -3.6855 | |
149 | S | A | -3.4729 | |
150 | E | A | -4.0020 | |
151 | D | A | -3.5970 | |
152 | E | A | -2.7160 | |
153 | V | A | -1.2345 | |
154 | E | A | -2.9535 | |
155 | E | A | -3.4891 | |
156 | E | A | -4.1537 | |
157 | Q | A | -4.0004 | |
158 | E | A | -4.3425 | |
159 | E | A | -4.3802 | |
160 | R | A | -3.9612 | |
161 | Q | A | -2.9435 | |
162 | P | A | -1.6605 | |
163 | S | A | -1.2415 | |
164 | P | A | -1.4998 | |
165 | E | A | -1.7575 | |
166 | P | A | -0.7931 | |
167 | V | A | 0.3145 | |
168 | Q | A | -1.7090 | |
169 | E | A | -2.7312 | |
170 | N | A | -2.6694 | |
171 | A | A | -1.7466 | |
172 | N | A | -1.7427 | |
173 | S | A | -0.7685 | |
174 | G | A | 0.1013 | |
175 | Y | A | 1.3369 | |
176 | Y | A | 1.0248 | |
177 | E | A | -1.1219 | |
178 | A | A | -1.1770 | |
179 | H | A | -1.1564 | |
180 | P | A | 0.0873 | |
181 | V | A | 1.1768 | |
182 | T | A | -0.0555 | |
183 | N | A | -0.7537 | |
184 | G | A | -0.6199 | |
185 | I | A | 0.0181 | |
186 | E | A | -1.8634 | |
187 | E | A | -2.1564 | |
188 | P | A | -1.1039 | |
189 | L | A | -0.4137 | |
190 | E | A | -1.9887 | |
191 | E | A | -2.5226 | |
192 | S | A | -1.7321 | |
193 | S | A | -1.5610 | |
194 | H | A | -2.1692 | |
195 | E | A | -2.8673 | |
196 | P | A | -2.2129 | |
197 | E | A | -2.7645 | |
198 | P | A | -2.1615 | |
199 | E | A | -2.8715 | |
200 | P | A | -2.1551 | |
201 | E | A | -2.9005 | |
202 | S | A | -2.2488 | |
203 | E | A | -2.7733 | |
204 | T | A | -2.3481 | |
205 | K | A | -2.9005 | |
206 | T | A | -2.4104 | |
207 | E | A | -2.8669 | |
208 | E | A | -2.5710 | |
209 | L | A | -0.5982 | |
210 | K | A | -1.7667 | |
211 | P | A | -1.2679 | |
212 | Q | A | -1.1219 | |
213 | V | A | -0.2129 | |
214 | E | A | -2.5538 | |
215 | E | A | -3.4679 | |
216 | K | A | -3.3515 | |
217 | N | A | -2.2657 | |
218 | L | A | -0.8320 | |
219 | E | A | -1.8695 | |
220 | E | A | -2.0838 | |
221 | L | A | -1.1586 | |
222 | E | A | -2.8102 | |
223 | E | A | -3.3168 | |
224 | K | A | -3.0808 | |
225 | S | A | -1.7949 | |
226 | T | A | -0.6895 | |
227 | T | A | -0.5337 | |
228 | P | A | -0.5210 | |
229 | P | A | -0.5227 | |
230 | P | A | -0.8507 | |
231 | A | A | -1.1897 | |
232 | E | A | -1.6225 | |
233 | P | A | -0.4176 | |
234 | V | A | 1.5229 | |
235 | S | A | 1.3699 | |
236 | L | A | 1.4359 | |
237 | P | A | -0.5329 | |
238 | Q | A | -1.9455 | |
239 | E | A | -2.8831 | |
240 | P | A | -1.9160 | |
241 | P | A | -1.5136 | |
242 | K | A | -1.7012 | |
243 | A | A | 0.1623 | |
244 | F | A | 1.7600 | |
245 | S | A | 1.0899 | |
246 | W | A | 1.9267 | |
247 | A | A | 1.1244 | |
248 | S | A | 0.9065 | |
249 | V | A | 1.6357 | |
250 | T | A | 0.1165 | |
251 | S | A | -0.7692 | |
252 | K | A | -1.8246 | |
253 | N | A | -1.4988 | |
254 | L | A | 0.2148 | |
255 | P | A | -0.1529 | |
256 | P | A | -0.3559 | |
257 | S | A | -0.4574 | |
258 | G | A | -0.2509 | |
259 | T | A | 0.4382 | |
260 | V | A | 1.4877 | |
261 | S | A | 0.4782 | |
262 | S | A | -0.1806 | |
263 | S | A | -0.1838 | |
264 | G | A | 0.2694 | |
265 | I | A | 1.5636 | |
266 | P | A | 0.2684 | |
267 | P | A | -0.0371 | |
268 | H | A | -0.6605 | |
269 | V | A | 0.3769 | |
270 | K | A | -1.0239 | |
271 | A | A | -0.1416 | |
272 | P | A | 0.2213 | |
273 | V | A | 1.2872 | |
274 | S | A | 0.0476 | |
275 | Q | A | -1.3901 | |
276 | P | A | -1.3826 | |
277 | R | A | -1.6348 | |
278 | V | A | -0.1245 | |
279 | E | A | -1.7066 | |
280 | A | A | -1.4517 | |
281 | K | A | -2.5600 | |
282 | P | A | -1.5733 | |
283 | E | A | -1.6350 | |
284 | V | A | 0.1009 | |
285 | Q | A | -1.1021 | |
286 | S | A | -1.2150 | |
287 | Q | A | -1.9142 | |
288 | P | A | -1.2452 | |
289 | P | A | -1.3079 | |
290 | R | A | -1.8921 | |
291 | V | A | -0.7249 | |
292 | R | A | -2.8195 | |
293 | E | A | -3.5660 | |
294 | Q | A | -3.5148 | |
295 | R | A | -3.8473 | |
296 | P | A | -3.1905 | |
297 | R | A | -3.8066 | |
298 | E | A | -3.9976 | |
299 | R | A | -3.1928 | |
300 | P | A | -1.5210 | |
301 | G | A | -0.5055 | |
302 | F | A | 1.0568 | |
303 | P | A | -0.0775 | |
304 | P | A | -1.0269 | |
305 | R | A | -2.3536 | |
306 | G | A | -2.1550 | |
307 | P | A | -1.8387 | |
308 | R | A | -2.4941 | |
309 | P | A | -1.7883 | |
310 | G | A | -2.1438 | |
311 | R | A | -2.7187 | |
312 | G | A | -2.0763 | |
313 | D | A | -2.5892 | |
314 | M | A | -1.4528 | |
315 | E | A | -2.8546 | |
316 | Q | A | -3.1930 | |
317 | N | A | -3.3864 | |
318 | D | A | -3.6296 | |
319 | S | A | -3.1548 | |
320 | D | A | -3.9060 | |
321 | N | A | -3.5016 | |
322 | R | A | -3.1398 | |
323 | R | A | -2.0258 | |
324 | I | A | 0.8781 | |
325 | I | A | 1.3690 | |
326 | R | A | -0.6132 | |
327 | Y | A | -0.7697 | |
328 | P | A | -1.2951 | |
329 | D | A | -2.0110 | |
330 | S | A | -1.8430 | |
331 | H | A | -1.9962 | |
332 | Q | A | -1.6645 | |
333 | L | A | 0.0000 | |
334 | F | A | -0.9086 | |
335 | V | A | 0.0000 | |
336 | G | A | 0.0000 | |
337 | N | A | -0.7722 | |
338 | L | A | 0.0000 | |
339 | P | A | -1.4856 | |
340 | H | A | -1.9594 | |
341 | D | A | -2.3565 | |
342 | I | A | -2.0198 | |
343 | D | A | -2.7358 | |
344 | E | A | -3.5149 | |
345 | N | A | -3.2551 | |
346 | E | A | -2.7781 | |
347 | L | A | 0.0000 | |
348 | K | A | -2.8659 | |
349 | E | A | -2.6610 | |
350 | F | A | -1.1678 | |
351 | F | A | 0.0000 | |
352 | M | A | -0.5985 | |
353 | S | A | -0.3801 | |
354 | F | A | -0.5154 | |
355 | G | A | -1.3134 | |
356 | N | A | -2.1519 | |
357 | V | A | 0.0000 | |
358 | V | A | -0.9513 | |
359 | E | A | -1.8049 | |
360 | L | A | -1.6581 | |
361 | R | A | -2.1690 | |
362 | I | A | -1.1982 | |
363 | N | A | -0.9843 | |
364 | T | A | -0.8473 | |
365 | K | A | -1.2389 | |
366 | G | A | -0.6268 | |
367 | V | A | 0.7543 | |
368 | G | A | -0.3912 | |
369 | G | A | -1.1461 | |
370 | K | A | -1.2867 | |
371 | L | A | -0.2362 | |
372 | P | A | -0.7889 | |
373 | N | A | 0.0000 | |
374 | F | A | -0.3212 | |
375 | G | A | 0.0000 | |
376 | F | A | -0.5791 | |
377 | V | A | 0.0000 | |
378 | V | A | -1.3219 | |
379 | F | A | 0.0000 | |
380 | D | A | -3.1863 | |
381 | D | A | -3.3591 | |
382 | S | A | -2.6908 | |
383 | E | A | -3.1203 | |
384 | P | A | 0.0000 | |
385 | V | A | 0.0000 | |
386 | Q | A | -1.9427 | |
387 | R | A | -1.3944 | |
388 | I | A | 0.0000 | |
389 | L | A | -0.4004 | |
390 | I | A | 1.1733 | |
391 | A | A | 0.1317 | |
392 | K | A | -0.9355 | |
393 | P | A | -0.8987 | |
394 | I | A | 0.0000 | |
395 | M | A | -0.7960 | |
396 | F | A | 0.0000 | |
397 | R | A | -2.0204 | |
398 | G | A | -1.8194 | |
399 | E | A | -2.3795 | |
400 | V | A | -1.4374 | |
401 | R | A | -1.6249 | |
402 | L | A | 0.0000 | |
403 | N | A | -0.9639 | |
404 | V | A | 0.0000 | |
405 | E | A | -2.1317 | |
406 | E | A | -2.4282 | |
407 | K | A | -2.4153 | |
408 | K | A | -3.1722 | |
409 | T | A | -2.5550 | |
410 | R | A | -3.2596 | |
411 | A | A | -2.6488 | |
412 | A | A | -2.9874 | |
413 | R | A | -4.1639 | |
414 | E | A | -4.5356 | |
415 | R | A | -4.8307 | |
416 | E | A | -4.3417 | |
417 | T | A | -3.4203 | |
418 | R | A | -4.0135 | |
419 | G | A | -3.4850 | |
420 | G | A | -2.6510 | |
421 | G | A | -2.8967 | |
422 | D | A | -4.0703 | |
423 | D | A | -4.3482 | |
424 | R | A | -4.4356 | |
425 | R | A | -4.4645 | |
426 | D | A | -3.8809 | |
427 | I | A | -1.8943 | |
428 | R | A | -3.4847 | |
429 | R | A | -4.0183 | |
430 | N | A | -3.8242 | |
431 | D | A | -3.9283 | |
432 | R | A | -3.5454 | |
433 | G | A | -2.3853 | |
434 | P | A | -1.4155 | |
435 | G | A | -0.9718 | |
436 | G | A | -1.2936 | |
437 | P | A | -1.5677 | |
438 | R | A | -1.8554 | |
439 | G | A | 0.0434 | |
440 | I | A | 2.0677 | |
441 | V | A | 2.2514 | |
442 | G | A | 0.3936 | |
443 | G | A | -0.1621 | |
444 | G | A | 0.0477 | |
445 | M | A | 0.9421 | |
446 | M | A | 0.3013 | |
447 | R | A | -2.5026 | |
448 | D | A | -3.8234 | |
449 | R | A | -4.0714 | |
450 | D | A | -3.7075 | |
451 | G | A | -2.7715 | |
452 | R | A | -2.7858 | |
453 | G | A | -1.6137 | |
454 | P | A | -1.0017 | |
455 | P | A | -0.9374 | |
456 | P | A | -1.3819 | |
457 | R | A | -2.3312 | |
458 | G | A | -1.4400 | |
459 | G | A | -0.6122 | |
460 | M | A | 0.5337 | |
461 | A | A | -0.3749 | |
462 | Q | A | -1.5769 | |
463 | K | A | -1.6997 | |
464 | L | A | 0.2513 | |
465 | G | A | -0.2270 | |
466 | S | A | -0.6977 | |
467 | G | A | -1.6991 | |
468 | R | A | -2.3959 | |
469 | G | A | -1.7070 | |
470 | T | A | -1.2090 | |
471 | G | A | -0.9736 | |
472 | Q | A | -1.2727 | |
473 | M | A | -0.6966 | |
474 | E | A | -2.2200 | |
475 | G | A | -1.5920 | |
476 | R | A | -1.5334 | |
477 | F | A | 0.7571 | |
478 | T | A | -0.0550 | |
479 | G | A | -1.1955 | |
480 | Q | A | -2.7590 | |
481 | R | A | -3.5796 | |
482 | R | A | -3.1677 |