Chain sequence(s) |
A: MDLSVENGGLAPGFRFHPTDEELVVYYLKRKIRRKKLRVEAIGETDVYKFDPEELPEKALYKTRDRQWFFFSLRDRKHGSRSSRATERGYWKATGKDRVIHCDSRPVGEKKTLVFHRGRAPNGERTNWVMHEYTLHKEELKRCGGEDVKDAYVLYKIYKKSGSGPKNGEQYGAPFIEEEWAEDDDDDVDEPANQLVVSASVDNSLWGKGLNQSELDDNDIEELMSQVRDQSGPTLQQNGVSGLNSHVDTYNLENLEEDMYLEINDLMEPEPEPTSVEVMENNWNEDGSGLLNDDDFVGADSYFLDLGVTNPQLDFVSGDLKNGFAQSLQVNTSLMTYQANNNQFQQQSGKNQASNWPLRNSYTRQINNGSSWVQELNNDGLTVTRFGEAPGTGDSSEFLNPVPSGISTTNEDDPSKDESSKFASSVWTFLESIPAKPAYASENPFVKLNLVRMSTSGGRFRFTSKSTGNNVVVMDSDSAVKRNKSGGNNDKKKKKNKGFFCLSIIGALCALFWVIIGTMGGSGRPLLW
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | No |
pH calculations | No |
alphaCutter usage | No |
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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01) [INFO] Main: Simulation completed successfully. (00:00:05) |
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
residue index | residue name | chain | Aggrescan4D score | mutation |
---|---|---|---|---|
1 | M | A | 0.0146 | |
2 | D | A | -0.9802 | |
3 | L | A | -0.9547 | |
4 | S | A | -0.7558 | |
5 | V | A | 0.1426 | |
6 | E | A | -1.4030 | |
7 | N | A | -1.1189 | |
8 | G | A | -0.8543 | |
9 | G | A | -0.4220 | |
10 | L | A | 0.4735 | |
11 | A | A | 0.6134 | |
12 | P | A | 0.4132 | |
13 | G | A | 0.6944 | |
14 | F | A | 1.4223 | |
15 | R | A | -0.1472 | |
16 | F | A | -0.1151 | |
17 | H | A | -0.9795 | |
18 | P | A | -1.0989 | |
19 | T | A | -1.1345 | |
20 | D | A | -1.3692 | |
21 | E | A | -1.6433 | |
22 | E | A | -1.5664 | |
23 | L | A | 0.0000 | |
24 | V | A | 0.0000 | |
25 | V | A | -0.3960 | |
26 | Y | A | -0.3948 | |
27 | Y | A | -0.9484 | |
28 | L | A | 0.0000 | |
29 | K | A | -1.2325 | |
30 | R | A | -2.4197 | |
31 | K | A | -2.2838 | |
32 | I | A | 0.0000 | |
33 | R | A | -3.3612 | |
34 | R | A | -3.7489 | |
35 | K | A | -3.8257 | |
36 | K | A | -3.5602 | |
37 | L | A | -2.4200 | |
38 | R | A | -2.2768 | |
39 | V | A | -1.1406 | |
40 | E | A | -1.6683 | |
41 | A | A | 0.0000 | |
42 | I | A | 0.0000 | |
43 | G | A | -1.1039 | |
44 | E | A | -1.7649 | |
45 | T | A | -1.3210 | |
46 | D | A | -1.4926 | |
47 | V | A | 0.0000 | |
48 | Y | A | -1.0685 | |
49 | K | A | -2.0972 | |
50 | F | A | -1.6062 | |
51 | D | A | 0.0000 | |
52 | P | A | 0.0000 | |
53 | E | A | -1.9043 | |
54 | E | A | -2.3288 | |
55 | L | A | 0.0000 | |
56 | P | A | -2.2996 | |
57 | E | A | -2.9255 | |
58 | K | A | -2.4345 | |
59 | A | A | 0.0000 | |
60 | L | A | -0.8469 | |
61 | Y | A | -1.4110 | |
62 | K | A | -2.3002 | |
63 | T | A | -1.9948 | |
64 | R | A | -2.4027 | |
65 | D | A | 0.0000 | |
66 | R | A | -2.1599 | |
67 | Q | A | 0.0000 | |
68 | W | A | -0.9263 | |
69 | F | A | 0.0000 | |
70 | F | A | 0.0000 | |
71 | F | A | 0.0000 | |
72 | S | A | -0.6568 | |
73 | L | A | -0.5227 | |
74 | R | A | -2.7010 | |
75 | D | A | -3.9204 | |
76 | R | A | -4.0646 | |
77 | K | A | -3.9524 | |
78 | H | A | -3.7349 | |
79 | G | A | -2.6731 | |
80 | S | A | -2.1334 | |
81 | R | A | -2.8260 | |
82 | S | A | -2.5931 | |
83 | S | A | -1.3736 | |
84 | R | A | -1.2643 | |
85 | A | A | -1.5961 | |
86 | T | A | -2.1149 | |
87 | E | A | -3.1730 | |
88 | R | A | -3.2042 | |
89 | G | A | 0.0000 | |
90 | Y | A | -2.0038 | |
91 | W | A | 0.0000 | |
92 | K | A | -1.9920 | |
93 | A | A | -1.4030 | |
94 | T | A | -1.2657 | |
95 | G | A | -1.8720 | |
96 | K | A | -2.8847 | |
97 | D | A | -3.0024 | |
98 | R | A | -2.6729 | |
99 | V | A | -0.7875 | |
100 | I | A | 0.0000 | |
101 | H | A | -1.7622 | |
102 | C | A | -1.7886 | |
103 | D | A | -2.2846 | |
104 | S | A | -1.6570 | |
105 | R | A | -1.6695 | |
106 | P | A | -1.3820 | |
107 | V | A | 0.0000 | |
108 | G | A | 0.0000 | |
109 | E | A | -1.6573 | |
110 | K | A | 0.0000 | |
111 | K | A | -1.7325 | |
112 | T | A | -1.4121 | |
113 | L | A | 0.0000 | |
114 | V | A | 0.0000 | |
115 | F | A | 0.0000 | |
116 | H | A | -2.9757 | |
117 | R | A | -3.1048 | |
118 | G | A | -3.2201 | |
119 | R | A | -3.2881 | |
120 | A | A | -2.0141 | |
121 | P | A | -1.7909 | |
122 | N | A | -2.7289 | |
123 | G | A | -3.4016 | |
124 | E | A | -3.5975 | |
125 | R | A | -3.4064 | |
126 | T | A | -1.9190 | |
127 | N | A | -1.2804 | |
128 | W | A | 0.0000 | |
129 | V | A | 0.0000 | |
130 | M | A | 0.0000 | |
131 | H | A | -0.4927 | |
132 | E | A | -0.6576 | |
133 | Y | A | 0.0000 | |
134 | T | A | -0.6582 | |
135 | L | A | 0.0000 | |
136 | H | A | -1.7362 | |
137 | K | A | -3.3673 | |
138 | E | A | -3.4136 | |
139 | E | A | 0.0000 | |
140 | L | A | -3.1042 | |
141 | K | A | -4.3053 | |
142 | R | A | -3.6243 | |
143 | C | A | -2.6983 | |
144 | G | A | -2.6046 | |
145 | G | A | -3.5018 | |
146 | E | A | -4.0753 | |
147 | D | A | -3.5344 | |
148 | V | A | -2.6808 | |
149 | K | A | -3.1653 | |
150 | D | A | -1.9978 | |
151 | A | A | 0.0000 | |
152 | Y | A | -0.6987 | |
153 | V | A | 0.0000 | |
154 | L | A | 0.0000 | |
155 | Y | A | 0.0000 | |
156 | K | A | -0.2699 | |
157 | I | A | 0.0000 | |
158 | Y | A | -0.9850 | |
159 | K | A | -1.6113 | |
160 | K | A | -1.5530 | |
161 | S | A | -1.1716 | |
162 | G | A | -0.8668 | |
163 | S | A | -1.0473 | |
164 | G | A | -1.0925 | |
165 | P | A | -1.4352 | |
166 | K | A | -2.3755 | |
167 | N | A | -2.3662 | |
168 | G | A | -1.8355 | |
169 | E | A | -1.8583 | |
170 | Q | A | -1.9336 | |
171 | Y | A | -1.5615 | |
172 | G | A | -1.1884 | |
173 | A | A | -0.7952 | |
174 | P | A | 0.2045 | |
175 | F | A | 1.1122 | |
176 | I | A | -0.0250 | |
177 | E | A | -2.0249 | |
178 | E | A | -2.9529 | |
179 | E | A | -2.2180 | |
180 | W | A | -1.5048 | |
181 | A | A | -2.6321 | |
182 | E | A | -3.7400 | |
183 | D | A | -4.5916 | |
184 | D | A | -4.8412 | |
185 | D | A | -4.6544 | |
186 | D | A | -4.0116 | |
187 | D | A | -3.3753 | |
188 | V | A | -1.4284 | |
189 | D | A | -2.6806 | |
190 | E | A | -2.6611 | |
191 | P | A | -1.8866 | |
192 | A | A | -1.5818 | |
193 | N | A | -1.5294 | |
194 | Q | A | -0.4188 | |
195 | L | A | 1.9062 | |
196 | V | A | 2.8863 | |
197 | V | A | 2.8057 | |
198 | S | A | 1.4184 | |
199 | A | A | 0.8229 | |
200 | S | A | 0.0186 | |
201 | V | A | 0.4590 | |
202 | D | A | -1.4357 | |
203 | N | A | -1.2004 | |
204 | S | A | -0.4234 | |
205 | L | A | 0.9134 | |
206 | W | A | 0.8019 | |
207 | G | A | -0.4678 | |
208 | K | A | -1.2722 | |
209 | G | A | -0.9115 | |
210 | L | A | -0.3092 | |
211 | N | A | -1.7133 | |
212 | Q | A | -1.7756 | |
213 | S | A | -1.6366 | |
214 | E | A | -2.1678 | |
215 | L | A | -1.0152 | |
216 | D | A | -3.0039 | |
217 | D | A | -3.4109 | |
218 | N | A | -3.0686 | |
219 | D | A | -2.0379 | |
220 | I | A | -0.1997 | |
221 | E | A | -2.3888 | |
222 | E | A | -1.9761 | |
223 | L | A | 0.5997 | |
224 | M | A | 0.3198 | |
225 | S | A | -1.1622 | |
226 | Q | A | -1.6380 | |
227 | V | A | -0.1277 | |
228 | R | A | -2.2142 | |
229 | D | A | -3.1074 | |
230 | Q | A | -2.6161 | |
231 | S | A | -1.6595 | |
232 | G | A | -1.0551 | |
233 | P | A | -0.3340 | |
234 | T | A | 0.0151 | |
235 | L | A | 0.5777 | |
236 | Q | A | -1.3251 | |
237 | Q | A | -2.2037 | |
238 | N | A | -1.9952 | |
239 | G | A | -0.5595 | |
240 | V | A | 1.0853 | |
241 | S | A | 0.4888 | |
242 | G | A | 0.3058 | |
243 | L | A | 0.6041 | |
244 | N | A | -0.7733 | |
245 | S | A | -0.6329 | |
246 | H | A | -0.8994 | |
247 | V | A | 0.3024 | |
248 | D | A | -0.9612 | |
249 | T | A | -0.0419 | |
250 | Y | A | 0.5796 | |
251 | N | A | -0.7107 | |
252 | L | A | 0.2759 | |
253 | E | A | -1.7525 | |
254 | N | A | -2.2695 | |
255 | L | A | -0.8012 | |
256 | E | A | -2.7500 | |
257 | E | A | -2.8840 | |
258 | D | A | -1.9498 | |
259 | M | A | 0.4162 | |
260 | Y | A | 1.4857 | |
261 | L | A | 1.4532 | |
262 | E | A | -0.4288 | |
263 | I | A | 1.1557 | |
264 | N | A | -0.9805 | |
265 | D | A | -1.2870 | |
266 | L | A | 0.7692 | |
267 | M | A | 0.1045 | |
268 | E | A | -1.9956 | |
269 | P | A | -1.8323 | |
270 | E | A | -2.8263 | |
271 | P | A | -2.3144 | |
272 | E | A | -2.5263 | |
273 | P | A | -1.2808 | |
274 | T | A | -0.3395 | |
275 | S | A | 0.1339 | |
276 | V | A | 1.1000 | |
277 | E | A | 0.0830 | |
278 | V | A | 1.3188 | |
279 | M | A | 0.4245 | |
280 | E | A | -1.7730 | |
281 | N | A | -2.4562 | |
282 | N | A | -2.0923 | |
283 | W | A | -0.8075 | |
284 | N | A | -2.4057 | |
285 | E | A | -3.3065 | |
286 | D | A | -3.2700 | |
287 | G | A | -1.9336 | |
288 | S | A | -0.5302 | |
289 | G | A | 0.1498 | |
290 | L | A | 1.5559 | |
291 | L | A | 0.9215 | |
292 | N | A | -1.8070 | |
293 | D | A | -2.9955 | |
294 | D | A | -3.0657 | |
295 | D | A | -1.9535 | |
296 | F | A | 1.1544 | |
297 | V | A | 1.5661 | |
298 | G | A | 0.2308 | |
299 | A | A | -0.1213 | |
300 | D | A | -0.7578 | |
301 | S | A | 0.6001 | |
302 | Y | A | 1.8267 | |
303 | F | A | 2.6494 | |
304 | L | A | 1.9180 | |
305 | D | A | 0.4866 | |
306 | L | A | 1.4518 | |
307 | G | A | 0.8115 | |
308 | V | A | 1.3854 | |
309 | T | A | 0.1448 | |
310 | N | A | -1.3467 | |
311 | P | A | -1.1473 | |
312 | Q | A | -1.0601 | |
313 | L | A | 0.4969 | |
314 | D | A | 0.0211 | |
315 | F | A | 2.0852 | |
316 | V | A | 2.0950 | |
317 | S | A | 0.5604 | |
318 | G | A | -0.4548 | |
319 | D | A | -1.6947 | |
320 | L | A | -0.5572 | |
321 | K | A | -2.0834 | |
322 | N | A | -1.6156 | |
323 | G | A | -0.4580 | |
324 | F | A | 1.2211 | |
325 | A | A | 0.2689 | |
326 | Q | A | -0.5531 | |
327 | S | A | -0.1071 | |
328 | L | A | 0.9441 | |
329 | Q | A | 0.0615 | |
330 | V | A | 0.9116 | |
331 | N | A | -0.4440 | |
332 | T | A | 0.0592 | |
333 | S | A | 0.6000 | |
334 | L | A | 1.9588 | |
335 | M | A | 1.9316 | |
336 | T | A | 1.1954 | |
337 | Y | A | 1.0416 | |
338 | Q | A | -0.8802 | |
339 | A | A | -1.2316 | |
340 | N | A | -2.4851 | |
341 | N | A | -2.7571 | |
342 | N | A | -2.4784 | |
343 | Q | A | -1.7669 | |
344 | F | A | -0.0750 | |
345 | Q | A | -1.5660 | |
346 | Q | A | -2.2065 | |
347 | Q | A | -2.0781 | |
348 | S | A | -1.9455 | |
349 | G | A | -2.1881 | |
350 | K | A | -2.8858 | |
351 | N | A | -2.8389 | |
352 | Q | A | -2.4680 | |
353 | A | A | -1.3325 | |
354 | S | A | -1.0029 | |
355 | N | A | -0.8258 | |
356 | W | A | 0.5851 | |
357 | P | A | 0.0580 | |
358 | L | A | 0.3588 | |
359 | R | A | -1.5531 | |
360 | N | A | -1.5977 | |
361 | S | A | -0.7985 | |
362 | Y | A | 0.0438 | |
363 | T | A | -0.6345 | |
364 | R | A | -1.8168 | |
365 | Q | A | -1.4643 | |
366 | I | A | 0.0749 | |
367 | N | A | -1.5753 | |
368 | N | A | -1.8528 | |
369 | G | A | -1.5678 | |
370 | S | A | -0.6991 | |
371 | S | A | 0.4896 | |
372 | W | A | 1.6264 | |
373 | V | A | 1.2830 | |
374 | Q | A | -0.5744 | |
375 | E | A | -1.6444 | |
376 | L | A | -0.7968 | |
377 | N | A | -2.0088 | |
378 | N | A | -2.6841 | |
379 | D | A | -2.4408 | |
380 | G | A | -0.8778 | |
381 | L | A | 1.2742 | |
382 | T | A | 1.4984 | |
383 | V | A | 1.6605 | |
384 | T | A | 0.2415 | |
385 | R | A | -0.7764 | |
386 | F | A | 0.2926 | |
387 | G | A | -0.7504 | |
388 | E | A | -1.8531 | |
389 | A | A | -1.2655 | |
390 | P | A | -0.8448 | |
391 | G | A | -0.7034 | |
392 | T | A | -0.9763 | |
393 | G | A | -1.5787 | |
394 | D | A | -2.1970 | |
395 | S | A | -1.6608 | |
396 | S | A | -1.1685 | |
397 | E | A | -0.6074 | |
398 | F | A | 1.4284 | |
399 | L | A | 1.5741 | |
400 | N | A | 0.1454 | |
401 | P | A | 0.4976 | |
402 | V | A | 1.3376 | |
403 | P | A | 0.4176 | |
404 | S | A | 0.2569 | |
405 | G | A | 0.4478 | |
406 | I | A | 1.5699 | |
407 | S | A | 0.5834 | |
408 | T | A | -0.0567 | |
409 | T | A | -1.1603 | |
410 | N | A | -2.6863 | |
411 | E | A | -3.7309 | |
412 | D | A | -3.8413 | |
413 | D | A | -3.1753 | |
414 | P | A | -2.1386 | |
415 | S | A | -2.2187 | |
416 | K | A | -3.2430 | |
417 | D | A | -3.9619 | |
418 | E | A | -3.3960 | |
419 | S | A | -1.9852 | |
420 | S | A | -1.7714 | |
421 | K | A | -1.5987 | |
422 | F | A | 1.1414 | |
423 | A | A | 0.8285 | |
424 | S | A | 0.8721 | |
425 | S | A | 1.7582 | |
426 | V | A | 3.1674 | |
427 | W | A | 2.7165 | |
428 | T | A | 1.7894 | |
429 | F | A | 3.1600 | |
430 | L | A | 2.6186 | |
431 | E | A | 0.3514 | |
432 | S | A | 1.0895 | |
433 | I | A | 1.4606 | |
434 | P | A | -0.1501 | |
435 | A | A | -0.6111 | |
436 | K | A | -1.4440 | |
437 | P | A | -0.6738 | |
438 | A | A | 0.1106 | |
439 | Y | A | 0.7313 | |
440 | A | A | -0.0391 | |
441 | S | A | -1.0800 | |
442 | E | A | -2.1851 | |
443 | N | A | -1.4748 | |
444 | P | A | -0.2171 | |
445 | F | A | 1.6880 | |
446 | V | A | 1.8409 | |
447 | K | A | 0.1033 | |
448 | L | A | 1.0349 | |
449 | N | A | 0.3514 | |
450 | L | A | 1.7459 | |
451 | V | A | 1.6800 | |
452 | R | A | -0.2628 | |
453 | M | A | 0.5512 | |
454 | S | A | -0.2019 | |
455 | T | A | -0.2946 | |
456 | S | A | -0.7420 | |
457 | G | A | -1.2852 | |
458 | G | A | -1.1905 | |
459 | R | A | -1.5416 | |
460 | F | A | 0.3306 | |
461 | R | A | -0.3835 | |
462 | F | A | 1.1601 | |
463 | T | A | -0.1384 | |
464 | S | A | -0.8553 | |
465 | K | A | -1.7927 | |
466 | S | A | -1.3789 | |
467 | T | A | -1.0882 | |
468 | G | A | -1.6708 | |
469 | N | A | -1.7522 | |
470 | N | A | -0.7167 | |
471 | V | A | 2.1109 | |
472 | V | A | 3.4157 | |
473 | V | A | 3.2089 | |
474 | M | A | 1.3746 | |
475 | D | A | -1.4183 | |
476 | S | A | -1.7443 | |
477 | D | A | -2.3726 | |
478 | S | A | -0.7678 | |
479 | A | A | 0.0463 | |
480 | V | A | 0.5529 | |
481 | K | A | -2.0255 | |
482 | R | A | -3.3363 | |
483 | N | A | -3.5308 | |
484 | K | A | -2.9350 | |
485 | S | A | -1.6462 | |
486 | G | A | -1.5712 | |
487 | G | A | -1.8589 | |
488 | N | A | -2.8323 | |
489 | N | A | -3.5614 | |
490 | D | A | -4.2421 | |
491 | K | A | -4.4744 | |
492 | K | A | -4.6508 | |
493 | K | A | -4.5696 | |
494 | K | A | -4.5746 | |
495 | K | A | -4.3459 | |
496 | N | A | -3.4404 | |
497 | K | A | -2.4467 | |
498 | G | A | 0.1822 | |
499 | F | A | 2.9249 | |
500 | F | A | 3.9254 | |
501 | C | A | 3.7658 | |
502 | L | A | 4.2229 | |
503 | S | A | 3.3424 | |
504 | I | A | 4.6615 | |
505 | I | A | 4.6261 | |
506 | G | A | 2.6354 | |
507 | A | A | 3.0154 | |
508 | L | A | 4.5919 | |
509 | C | A | 4.0445 | |
510 | A | A | 3.4956 | |
511 | L | A | 4.9458 | |
512 | F | A | 5.2944 | |
513 | W | A | 4.7725 | |
514 | V | A | 4.8430 | |
515 | I | A | 4.5093 | |
516 | I | A | 3.6800 | |
517 | G | A | 2.1113 | |
518 | T | A | 1.6959 | |
519 | M | A | 1.6737 | |
520 | G | A | 0.0408 | |
521 | G | A | -0.7711 | |
522 | S | A | -1.1490 | |
523 | G | A | -1.5611 | |
524 | R | A | -1.7321 | |
525 | P | A | 0.0290 | |
526 | L | A | 1.9177 | |
527 | L | A | 2.6048 | |
528 | W | A | 2.2809 |