Chain sequence(s) |
A: MTRCLMFTLLFLVSSLISTVGLPVEPPAELLQLGGGDVGGGRLSVDASDIAEASRDFGGVARAEPMAVFHPRAAGDVAGLVGAAFRSARGFRVSARGHGHSISGQAQAAGGVVVDMSRGRGPGAAVARALPVHSAALGGHYVDVWGGELWVDVLNWTLSHGGLAPRSWTDYLYLSVGGTLSNAGISGQAFHHGPQISNVYELDVVTGKGEVVTCSETENPDLFFGVLGGLGQFGIITRARIALERAPKRVRWIRALYSNFSEFTADQERLISLGSGGGRRFDYVEGFVVAAEGLINNWRSSFFSPQNPVKLTSLKHHSSVLYCLEVTKNYDDETAGSVDQDVDTLLGELNFLPGTVFTTDLPYVDFLDRVHKAELKLRAKGMWEVPHPWLNLFVPASRIADFDRGVFRGVLGGRTAGAGGPVLIYPMNKHKWDPRSSAVTPDEEVFYLVAFLRSALPGAPESLEALARQNQRILDFCAGTGIGAKQYLPGHKARHEWAEHFGAARWDRFARLKAEFDPRAILAAGQGIFRPPGSPALAADS
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. (00:00:01) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01) [INFO] Main: Simulation completed successfully. (00:00:04) |
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 | 1.1438 | |
2 | T | A | 0.7131 | |
3 | R | A | 0.0090 | |
4 | C | A | 2.0014 | |
5 | L | A | 3.2221 | |
6 | M | A | 3.7997 | |
7 | F | A | 4.6352 | |
8 | T | A | 4.2003 | |
9 | L | A | 5.3271 | |
10 | L | A | 5.5415 | |
11 | F | A | 5.4390 | |
12 | L | A | 5.3237 | |
13 | V | A | 5.1722 | |
14 | S | A | 3.5086 | |
15 | S | A | 3.3395 | |
16 | L | A | 4.3924 | |
17 | I | A | 4.1165 | |
18 | S | A | 2.1133 | |
19 | T | A | 1.9346 | |
20 | V | A | 2.7391 | |
21 | G | A | 1.8401 | |
22 | L | A | 2.4340 | |
23 | P | A | 0.8509 | |
24 | V | A | 1.0593 | |
25 | E | A | -0.6124 | |
26 | P | A | -0.2447 | |
27 | P | A | -0.3136 | |
28 | A | A | -0.4382 | |
29 | E | A | -0.8620 | |
30 | L | A | 0.0000 | |
31 | L | A | 0.2175 | |
32 | Q | A | -0.8976 | |
33 | L | A | -0.6759 | |
34 | G | A | -0.7603 | |
35 | G | A | -1.3198 | |
36 | G | A | -2.1112 | |
37 | D | A | -2.7422 | |
38 | V | A | -1.6858 | |
39 | G | A | -1.5502 | |
40 | G | A | 0.0000 | |
41 | G | A | 0.0000 | |
42 | R | A | -2.6770 | |
43 | L | A | -1.0050 | |
44 | S | A | 0.0000 | |
45 | V | A | 0.7466 | |
46 | D | A | -0.9461 | |
47 | A | A | -0.6949 | |
48 | S | A | -1.0430 | |
49 | D | A | -1.1216 | |
50 | I | A | -1.0828 | |
51 | A | A | -2.0509 | |
52 | E | A | -2.6460 | |
53 | A | A | 0.0000 | |
54 | S | A | 0.0000 | |
55 | R | A | -3.1199 | |
56 | D | A | -1.8511 | |
57 | F | A | -0.6652 | |
58 | G | A | 0.0000 | |
59 | G | A | -0.8033 | |
60 | V | A | 0.4498 | |
61 | A | A | -0.7606 | |
62 | R | A | -2.5534 | |
63 | A | A | -2.0122 | |
64 | E | A | -2.3764 | |
65 | P | A | 0.0000 | |
66 | M | A | -0.0970 | |
67 | A | A | 0.0000 | |
68 | V | A | 0.0000 | |
69 | F | A | 0.0000 | |
70 | H | A | -1.7456 | |
71 | P | A | 0.0000 | |
72 | R | A | -2.3989 | |
73 | A | A | -0.8828 | |
74 | A | A | -0.5976 | |
75 | G | A | -0.8284 | |
76 | D | A | 0.0000 | |
77 | V | A | 0.0000 | |
78 | A | A | -0.5307 | |
79 | G | A | -0.4852 | |
80 | L | A | 0.0000 | |
81 | V | A | 0.0000 | |
82 | G | A | 0.0000 | |
83 | A | A | -0.6591 | |
84 | A | A | 0.0000 | |
85 | F | A | -1.0920 | |
86 | R | A | -2.1240 | |
87 | S | A | 0.0000 | |
88 | A | A | -1.3323 | |
89 | R | A | -2.3116 | |
90 | G | A | -1.6073 | |
91 | F | A | 0.0000 | |
92 | R | A | -0.9478 | |
93 | V | A | 0.0000 | |
94 | S | A | 0.0000 | |
95 | A | A | -0.3027 | |
96 | R | A | -0.5680 | |
97 | G | A | -0.5592 | |
98 | H | A | -0.5630 | |
99 | G | A | 0.0000 | |
100 | H | A | -0.5679 | |
101 | S | A | -0.5431 | |
102 | I | A | 0.0000 | |
103 | S | A | -0.3873 | |
104 | G | A | 0.0000 | |
105 | Q | A | -0.3343 | |
106 | A | A | -0.6146 | |
107 | Q | A | 0.0000 | |
108 | A | A | 0.0000 | |
109 | A | A | -1.0265 | |
110 | G | A | -0.5461 | |
111 | G | A | 0.0000 | |
112 | V | A | 0.0000 | |
113 | V | A | 0.0000 | |
114 | V | A | 0.0000 | |
115 | D | A | -0.6778 | |
116 | M | A | 0.0000 | |
117 | S | A | -0.8737 | |
118 | R | A | -1.5265 | |
119 | G | A | -2.2070 | |
120 | R | A | -2.6195 | |
121 | G | A | -1.8381 | |
122 | P | A | -1.1014 | |
123 | G | A | -0.9497 | |
124 | A | A | -0.9341 | |
125 | A | A | -0.1238 | |
126 | V | A | 0.9331 | |
127 | A | A | 0.7875 | |
128 | R | A | 0.3825 | |
129 | A | A | 0.8100 | |
130 | L | A | 1.3504 | |
131 | P | A | 0.5870 | |
132 | V | A | 0.7089 | |
133 | H | A | -0.4665 | |
134 | S | A | -0.2202 | |
135 | A | A | -0.1040 | |
136 | A | A | 0.0968 | |
137 | L | A | 0.2751 | |
138 | G | A | -0.3697 | |
139 | G | A | -0.6314 | |
140 | H | A | -0.8450 | |
141 | Y | A | 0.0946 | |
142 | V | A | 0.0000 | |
143 | D | A | -0.1514 | |
144 | V | A | 0.0000 | |
145 | W | A | -0.0269 | |
146 | G | A | 0.0000 | |
147 | G | A | 0.0000 | |
148 | E | A | 0.0000 | |
149 | L | A | -0.0312 | |
150 | W | A | 0.0000 | |
151 | V | A | 0.0000 | |
152 | D | A | -0.6787 | |
153 | V | A | 0.0000 | |
154 | L | A | 0.0000 | |
155 | N | A | -1.0187 | |
156 | W | A | -0.4459 | |
157 | T | A | 0.0000 | |
158 | L | A | -0.7356 | |
159 | S | A | -0.5943 | |
160 | H | A | -0.6523 | |
161 | G | A | -0.7977 | |
162 | G | A | -1.4469 | |
163 | L | A | 0.0000 | |
164 | A | A | 0.0000 | |
165 | P | A | 0.0000 | |
166 | R | A | -0.8492 | |
167 | S | A | 0.0000 | |
168 | W | A | 0.0000 | |
169 | T | A | 0.0000 | |
170 | D | A | -0.1360 | |
171 | Y | A | 0.1311 | |
172 | L | A | 0.0000 | |
173 | Y | A | 0.2462 | |
174 | L | A | 0.1249 | |
175 | S | A | 0.0000 | |
176 | V | A | 0.0000 | |
177 | G | A | -0.2277 | |
178 | G | A | -0.4264 | |
179 | T | A | 0.0000 | |
180 | L | A | 0.0000 | |
181 | S | A | -0.2328 | |
182 | N | A | -0.2331 | |
183 | A | A | 0.0000 | |
184 | G | A | 0.0000 | |
185 | I | A | 0.0000 | |
186 | S | A | 0.0000 | |
187 | G | A | 0.0000 | |
188 | Q | A | 0.0000 | |
189 | A | A | 0.0000 | |
190 | F | A | 0.0000 | |
191 | H | A | -0.6483 | |
192 | H | A | -0.5527 | |
193 | G | A | 0.0000 | |
194 | P | A | 0.0000 | |
195 | Q | A | 0.0000 | |
196 | I | A | 0.0000 | |
197 | S | A | -0.2713 | |
198 | N | A | 0.0000 | |
199 | V | A | 0.0000 | |
200 | Y | A | -0.2130 | |
201 | E | A | -0.9350 | |
202 | L | A | 0.0000 | |
203 | D | A | -0.0647 | |
204 | V | A | 0.0000 | |
205 | V | A | 0.0000 | |
206 | T | A | 0.0000 | |
207 | G | A | 0.0000 | |
208 | K | A | -1.3310 | |
209 | G | A | -0.9962 | |
210 | E | A | -1.1594 | |
211 | V | A | 0.4660 | |
212 | V | A | 0.1118 | |
213 | T | A | -0.4314 | |
214 | C | A | 0.0000 | |
215 | S | A | -2.0404 | |
216 | E | A | -2.6772 | |
217 | T | A | -2.0993 | |
218 | E | A | -2.8050 | |
219 | N | A | -2.5405 | |
220 | P | A | -2.7313 | |
221 | D | A | -2.9359 | |
222 | L | A | 0.0000 | |
223 | F | A | 0.0000 | |
224 | F | A | 0.0000 | |
225 | G | A | 0.0000 | |
226 | V | A | 0.0000 | |
227 | L | A | 0.0000 | |
228 | G | A | 0.0000 | |
229 | G | A | 0.0000 | |
230 | L | A | 0.0000 | |
231 | G | A | -0.2275 | |
232 | Q | A | 0.0000 | |
233 | F | A | 0.0000 | |
234 | G | A | 0.0000 | |
235 | I | A | 0.0000 | |
236 | I | A | 0.0000 | |
237 | T | A | 0.0000 | |
238 | R | A | -0.5051 | |
239 | A | A | 0.0000 | |
240 | R | A | -0.4977 | |
241 | I | A | 0.0000 | |
242 | A | A | 0.0000 | |
243 | L | A | 0.0000 | |
244 | E | A | -1.6256 | |
245 | R | A | -2.4837 | |
246 | A | A | -1.6776 | |
247 | P | A | -1.9082 | |
248 | K | A | -2.6594 | |
249 | R | A | -2.0937 | |
250 | V | A | 0.0000 | |
251 | R | A | 0.0000 | |
252 | W | A | 0.0000 | |
253 | I | A | 0.0000 | |
254 | R | A | 0.0000 | |
255 | A | A | 0.0000 | |
256 | L | A | 0.0000 | |
257 | Y | A | 0.0000 | |
258 | S | A | -0.8354 | |
259 | N | A | -1.1799 | |
260 | F | A | 0.0000 | |
261 | S | A | -0.7975 | |
262 | E | A | -1.4353 | |
263 | F | A | 0.0000 | |
264 | T | A | 0.0000 | |
265 | A | A | -0.9426 | |
266 | D | A | 0.0000 | |
267 | Q | A | 0.0000 | |
268 | E | A | -1.1436 | |
269 | R | A | -1.4988 | |
270 | L | A | 0.0000 | |
271 | I | A | 0.0000 | |
272 | S | A | -0.7275 | |
273 | L | A | -0.8903 | |
274 | G | A | -1.0361 | |
275 | S | A | -1.1786 | |
276 | G | A | -1.3358 | |
277 | G | A | -1.5924 | |
278 | G | A | -1.8660 | |
279 | R | A | -2.6978 | |
280 | R | A | -1.6292 | |
281 | F | A | 0.0000 | |
282 | D | A | -0.7911 | |
283 | Y | A | 0.0000 | |
284 | V | A | 0.0000 | |
285 | E | A | 0.0000 | |
286 | G | A | 0.0000 | |
287 | F | A | 0.0000 | |
288 | V | A | 0.0000 | |
289 | V | A | 0.0000 | |
290 | A | A | 0.0000 | |
291 | A | A | -1.1185 | |
292 | E | A | -1.9439 | |
293 | G | A | -1.0505 | |
294 | L | A | 0.0000 | |
295 | I | A | 0.8993 | |
296 | N | A | -0.7894 | |
297 | N | A | -0.5684 | |
298 | W | A | -0.0982 | |
299 | R | A | 0.0000 | |
300 | S | A | 0.3544 | |
301 | S | A | 0.2568 | |
302 | F | A | 0.3873 | |
303 | F | A | 0.2653 | |
304 | S | A | -0.5163 | |
305 | P | A | -1.1839 | |
306 | Q | A | -1.8799 | |
307 | N | A | -2.0501 | |
308 | P | A | -1.4676 | |
309 | V | A | -0.9387 | |
310 | K | A | -1.7456 | |
311 | L | A | -0.4857 | |
312 | T | A | -1.0000 | |
313 | S | A | -1.2708 | |
314 | L | A | 0.0000 | |
315 | K | A | -2.4094 | |
316 | H | A | -2.0426 | |
317 | H | A | -1.6656 | |
318 | S | A | -1.0849 | |
319 | S | A | -1.5053 | |
320 | V | A | 0.0000 | |
321 | L | A | 0.0000 | |
322 | Y | A | 0.0000 | |
323 | C | A | 0.0000 | |
324 | L | A | 0.0000 | |
325 | E | A | 0.0000 | |
326 | V | A | 0.0000 | |
327 | T | A | 0.0000 | |
328 | K | A | -1.1023 | |
329 | N | A | -1.1287 | |
330 | Y | A | 0.0000 | |
331 | D | A | -2.6259 | |
332 | D | A | -3.2678 | |
333 | E | A | -2.8979 | |
334 | T | A | -1.9861 | |
335 | A | A | -1.8977 | |
336 | G | A | -1.7779 | |
337 | S | A | -1.5847 | |
338 | V | A | 0.0000 | |
339 | D | A | -3.0794 | |
340 | Q | A | -3.1195 | |
341 | D | A | -2.7151 | |
342 | V | A | 0.0000 | |
343 | D | A | -3.0937 | |
344 | T | A | -2.3077 | |
345 | L | A | 0.0000 | |
346 | L | A | 0.0000 | |
347 | G | A | -1.7759 | |
348 | E | A | -2.0816 | |
349 | L | A | -1.4016 | |
350 | N | A | -1.7026 | |
351 | F | A | -0.6853 | |
352 | L | A | -0.2018 | |
353 | P | A | -0.4009 | |
354 | G | A | -0.5265 | |
355 | T | A | 0.0000 | |
356 | V | A | 0.5490 | |
357 | F | A | 0.3589 | |
358 | T | A | 0.0589 | |
359 | T | A | -0.2871 | |
360 | D | A | -0.9789 | |
361 | L | A | -0.8198 | |
362 | P | A | -1.0469 | |
363 | Y | A | 0.0000 | |
364 | V | A | -0.2789 | |
365 | D | A | -0.6769 | |
366 | F | A | 0.0000 | |
367 | L | A | 0.0000 | |
368 | D | A | -0.5109 | |
369 | R | A | 0.0000 | |
370 | V | A | -0.3608 | |
371 | H | A | -0.5814 | |
372 | K | A | -1.2848 | |
373 | A | A | 0.0000 | |
374 | E | A | 0.0000 | |
375 | L | A | -0.3347 | |
376 | K | A | -1.8461 | |
377 | L | A | -1.5131 | |
378 | R | A | -1.9136 | |
379 | A | A | -1.4361 | |
380 | K | A | -2.4039 | |
381 | G | A | -1.8566 | |
382 | M | A | -1.0747 | |
383 | W | A | 0.0000 | |
384 | E | A | -2.1812 | |
385 | V | A | 0.0000 | |
386 | P | A | -0.0112 | |
387 | H | A | 0.0000 | |
388 | P | A | 0.0000 | |
389 | W | A | 0.3818 | |
390 | L | A | 0.0000 | |
391 | N | A | 0.0000 | |
392 | L | A | 0.0000 | |
393 | F | A | 0.0000 | |
394 | V | A | 0.0000 | |
395 | P | A | 0.0000 | |
396 | A | A | -0.8163 | |
397 | S | A | -0.7278 | |
398 | R | A | -0.7876 | |
399 | I | A | 0.0000 | |
400 | A | A | -0.8768 | |
401 | D | A | -1.2557 | |
402 | F | A | 0.0000 | |
403 | D | A | 0.0000 | |
404 | R | A | -2.4021 | |
405 | G | A | -1.3560 | |
406 | V | A | 0.0000 | |
407 | F | A | 0.0000 | |
408 | R | A | -1.9994 | |
409 | G | A | -1.4825 | |
410 | V | A | -1.1222 | |
411 | L | A | 0.0000 | |
412 | G | A | -1.6326 | |
413 | G | A | 0.0000 | |
414 | R | A | -2.4669 | |
415 | T | A | 0.0000 | |
416 | A | A | -1.3787 | |
417 | G | A | -0.9534 | |
418 | A | A | 0.0000 | |
419 | G | A | -0.2515 | |
420 | G | A | -0.1460 | |
421 | P | A | 0.0000 | |
422 | V | A | 0.0000 | |
423 | L | A | 0.0000 | |
424 | I | A | 0.0000 | |
425 | Y | A | 0.0000 | |
426 | P | A | 0.0000 | |
427 | M | A | 0.0000 | |
428 | N | A | 0.0000 | |
429 | K | A | -1.9992 | |
430 | H | A | -1.8938 | |
431 | K | A | -1.4298 | |
432 | W | A | 0.0000 | |
433 | D | A | -1.2547 | |
434 | P | A | -1.3025 | |
435 | R | A | -1.8381 | |
436 | S | A | 0.0000 | |
437 | S | A | 0.0000 | |
438 | A | A | -0.3382 | |
439 | V | A | 0.0000 | |
440 | T | A | 0.0000 | |
441 | P | A | 0.0000 | |
442 | D | A | -2.4880 | |
443 | E | A | -2.3330 | |
444 | E | A | -2.7024 | |
445 | V | A | -1.3593 | |
446 | F | A | 0.0000 | |
447 | Y | A | 0.0000 | |
448 | L | A | 0.0000 | |
449 | V | A | 0.0000 | |
450 | A | A | 0.0000 | |
451 | F | A | 0.0000 | |
452 | L | A | 0.1963 | |
453 | R | A | 0.0000 | |
454 | S | A | -0.1139 | |
455 | A | A | -0.4425 | |
456 | L | A | -0.1066 | |
457 | P | A | -0.3293 | |
458 | G | A | -0.6107 | |
459 | A | A | -0.4333 | |
460 | P | A | -0.6098 | |
461 | E | A | -0.9352 | |
462 | S | A | -1.0766 | |
463 | L | A | -0.7842 | |
464 | E | A | -2.1489 | |
465 | A | A | -1.7670 | |
466 | L | A | 0.0000 | |
467 | A | A | -1.9149 | |
468 | R | A | -3.2314 | |
469 | Q | A | -2.4654 | |
470 | N | A | -2.1206 | |
471 | Q | A | -3.0125 | |
472 | R | A | -3.2723 | |
473 | I | A | 0.0000 | |
474 | L | A | -1.6573 | |
475 | D | A | -2.5001 | |
476 | F | A | -1.2428 | |
477 | C | A | 0.0000 | |
478 | A | A | -0.9997 | |
479 | G | A | -0.9002 | |
480 | T | A | -0.7933 | |
481 | G | A | -0.9225 | |
482 | I | A | 0.0000 | |
483 | G | A | -0.9986 | |
484 | A | A | -0.6365 | |
485 | K | A | -0.5977 | |
486 | Q | A | -0.2032 | |
487 | Y | A | 0.0583 | |
488 | L | A | 0.1554 | |
489 | P | A | 0.0000 | |
490 | G | A | -0.8690 | |
491 | H | A | -1.7507 | |
492 | K | A | -2.5498 | |
493 | A | A | 0.0000 | |
494 | R | A | -3.3978 | |
495 | H | A | -3.0938 | |
496 | E | A | -2.7556 | |
497 | W | A | 0.0000 | |
498 | A | A | -2.2175 | |
499 | E | A | -2.6693 | |
500 | H | A | 0.0000 | |
501 | F | A | 0.0000 | |
502 | G | A | -1.2196 | |
503 | A | A | -0.9840 | |
504 | A | A | -0.8297 | |
505 | R | A | -1.7074 | |
506 | W | A | -1.6358 | |
507 | D | A | -2.4464 | |
508 | R | A | -2.2883 | |
509 | F | A | 0.0000 | |
510 | A | A | -1.7820 | |
511 | R | A | -2.7941 | |
512 | L | A | 0.0000 | |
513 | K | A | 0.0000 | |
514 | A | A | -1.3646 | |
515 | E | A | -2.0880 | |
516 | F | A | -1.3165 | |
517 | D | A | 0.0000 | |
518 | P | A | -0.8985 | |
519 | R | A | -1.1612 | |
520 | A | A | 0.0000 | |
521 | I | A | 0.0000 | |
522 | L | A | 0.0000 | |
523 | A | A | -0.2795 | |
524 | A | A | -0.3659 | |
525 | G | A | -0.4017 | |
526 | Q | A | 0.0000 | |
527 | G | A | -0.8653 | |
528 | I | A | 0.0000 | |
529 | F | A | -0.4877 | |
530 | R | A | -0.7981 | |
531 | P | A | 0.0000 | |
532 | P | A | -1.0792 | |
533 | G | A | -1.0949 | |
534 | S | A | -0.6394 | |
535 | P | A | -0.0988 | |
536 | A | A | 0.0829 | |
537 | L | A | 0.7922 | |
538 | A | A | 0.0633 | |
539 | A | A | -0.8834 | |
540 | D | A | -2.0187 | |
541 | S | A | -0.7952 |