Chain sequence(s) |
A: MGSIGAASMEFCFDVFKELKVHHANENIFYCPIAIMSALAMVYLGAKDSTRTQINKVVRFDKLPGFGDSIEAQCGTSVNVHSSLRDILNQITKPNDVYSFSLASRLYAEERYPILPEYLQCVKELYRGGLEPINFQTAADQARELINSWVESQTNGIIRNVLQPSSVDSQTAMVLVNAIVFKGLWEKAFKDEDTQAMPFRVTEQESKPVQMMYQIGLFRVASMASEKMKILELPFASGTMSMLVLLPDEVSGLEQLESIINFEKLTEWTSSNVMEERKIKVYLPRMKMEEKYNLTSVLMAMGITDVFSSSANLSGISSAESLKISQAVHAAHAEINEAGREVVGSAEAGVDAASVSEEFRADHPFLFCIKHIATNAVLFFGRCVSP
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 (00:00:00) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:49) [INFO] Main: Simulation completed successfully. (00:09:52) |
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 | 1.0119 | |
2 | G | A | 0.1531 | |
3 | S | A | -0.1573 | |
4 | I | A | -0.2708 | |
5 | G | A | 0.0000 | |
6 | A | A | -0.5576 | |
7 | A | A | 0.0000 | |
8 | S | A | 0.0000 | |
9 | M | A | 0.0000 | |
10 | E | A | -0.7465 | |
11 | F | A | 0.0000 | |
12 | C | A | 0.0000 | |
13 | F | A | -0.8282 | |
14 | D | A | -1.3367 | |
15 | V | A | 0.0000 | |
16 | F | A | 0.0000 | |
17 | K | A | -1.9856 | |
18 | E | A | 0.0000 | |
19 | L | A | 0.0000 | |
20 | K | A | -1.4830 | |
21 | V | A | 0.2566 | |
22 | H | A | -1.0520 | |
23 | H | A | -1.3668 | |
24 | A | A | -1.3188 | |
25 | N | A | -2.3223 | |
26 | E | A | -2.5599 | |
27 | N | A | -1.7081 | |
28 | I | A | 0.0000 | |
29 | F | A | 0.0000 | |
30 | Y | A | 0.0000 | |
31 | C | A | 0.0000 | |
32 | P | A | 0.0000 | |
33 | I | A | 0.0000 | |
34 | A | A | 0.0000 | |
35 | I | A | 0.0000 | |
36 | M | A | 0.0000 | |
37 | S | A | 0.0000 | |
38 | A | A | 0.0000 | |
39 | L | A | 0.0000 | |
40 | A | A | 0.0000 | |
41 | M | A | 0.0000 | |
42 | V | A | 0.0000 | |
43 | Y | A | 0.0000 | |
44 | L | A | 0.0000 | |
45 | G | A | 0.0000 | |
46 | A | A | 0.0000 | |
47 | K | A | -2.6012 | |
48 | D | A | -2.8052 | |
49 | S | A | -1.7310 | |
50 | T | A | 0.0000 | |
51 | R | A | -2.1529 | |
52 | T | A | -1.8003 | |
53 | Q | A | -1.5539 | |
54 | I | A | 0.0000 | |
55 | N | A | -1.7039 | |
56 | K | A | -2.3508 | |
57 | V | A | 0.0000 | |
58 | V | A | 0.0000 | |
59 | R | A | -1.7099 | |
60 | F | A | 0.0000 | |
61 | D | A | -1.1819 | |
62 | K | A | -0.8688 | |
63 | L | A | 0.0000 | |
64 | P | A | 0.0472 | |
65 | G | A | -0.1678 | |
66 | F | A | 0.6632 | |
67 | G | A | -0.4392 | |
68 | D | A | -1.3466 | |
69 | S | A | -0.5935 | |
70 | I | A | 0.3144 | |
71 | E | A | -1.4509 | |
72 | A | A | -0.8869 | |
73 | Q | A | -1.8701 | |
74 | C | A | -1.3783 | |
75 | G | A | -0.9678 | |
76 | T | A | -0.6232 | |
77 | S | A | -0.1707 | |
78 | V | A | -0.1117 | |
79 | N | A | 0.0151 | |
80 | V | A | 0.0000 | |
81 | H | A | 0.0000 | |
82 | S | A | -1.0902 | |
83 | S | A | -0.8050 | |
84 | L | A | 0.0000 | |
85 | R | A | -2.3515 | |
86 | D | A | -2.6127 | |
87 | I | A | 0.0000 | |
88 | L | A | 0.0000 | |
89 | N | A | -2.5270 | |
90 | Q | A | -2.4774 | |
91 | I | A | 0.0000 | |
92 | T | A | 0.0000 | |
93 | K | A | -2.5220 | |
94 | P | A | -2.0418 | |
95 | N | A | -2.1842 | |
96 | D | A | -2.0683 | |
97 | V | A | -1.4385 | |
98 | Y | A | 0.0000 | |
99 | S | A | -1.3786 | |
100 | F | A | 0.0000 | |
101 | S | A | -0.6537 | |
102 | L | A | -0.1235 | |
103 | A | A | 0.0000 | |
104 | S | A | -0.5047 | |
105 | R | A | -0.7078 | |
106 | L | A | 0.0000 | |
107 | Y | A | 0.0000 | |
108 | A | A | 0.0000 | |
109 | E | A | 0.0000 | |
110 | E | A | -3.2781 | |
111 | R | A | -3.0479 | |
112 | Y | A | 0.0000 | |
113 | P | A | -0.9619 | |
114 | I | A | -0.6316 | |
115 | L | A | -0.4780 | |
116 | P | A | -1.1745 | |
117 | E | A | -2.5099 | |
118 | Y | A | 0.0000 | |
119 | L | A | -1.6504 | |
120 | Q | A | -2.8577 | |
121 | C | A | 0.0000 | |
122 | V | A | 0.0000 | |
123 | K | A | -3.5875 | |
124 | E | A | -3.3582 | |
125 | L | A | 0.0000 | |
126 | Y | A | 0.0000 | |
127 | R | A | -2.8192 | |
128 | G | A | -1.6975 | |
129 | G | A | 0.0000 | |
130 | L | A | 0.0000 | |
131 | E | A | -1.1515 | |
132 | P | A | -1.7270 | |
133 | I | A | 0.0000 | |
134 | N | A | -2.5427 | |
135 | F | A | 0.0000 | |
136 | Q | A | -2.8229 | |
137 | T | A | -1.5519 | |
138 | A | A | -1.7104 | |
139 | A | A | -2.6580 | |
140 | D | A | -3.3040 | |
141 | Q | A | -2.1267 | |
142 | A | A | 0.0000 | |
143 | R | A | -2.2762 | |
144 | E | A | -2.1744 | |
145 | L | A | -0.1452 | |
146 | I | A | 0.0000 | |
147 | N | A | 0.0000 | |
148 | S | A | -1.0647 | |
149 | W | A | -0.7227 | |
150 | V | A | 0.0000 | |
151 | E | A | -2.1906 | |
152 | S | A | -1.6062 | |
153 | Q | A | -1.3169 | |
154 | T | A | 0.0000 | |
155 | N | A | -1.9218 | |
156 | G | A | -1.5133 | |
157 | I | A | -1.0755 | |
158 | I | A | 0.0000 | |
159 | R | A | -2.9970 | |
160 | N | A | -2.9642 | |
161 | V | A | 0.0000 | |
162 | L | A | 0.0000 | |
163 | Q | A | -2.3045 | |
164 | P | A | -1.9170 | |
165 | S | A | -1.4882 | |
166 | S | A | -1.4565 | |
167 | V | A | 0.0000 | |
168 | D | A | -3.0647 | |
169 | S | A | -2.4919 | |
170 | Q | A | -2.1725 | |
171 | T | A | 0.0000 | |
172 | A | A | 0.0000 | |
173 | M | A | 0.0000 | |
174 | V | A | 0.0000 | |
175 | L | A | 0.0000 | |
176 | V | A | 0.0000 | |
177 | N | A | 0.0000 | |
178 | A | A | 0.0000 | |
179 | I | A | 0.0000 | |
180 | V | A | 0.0000 | |
181 | F | A | 0.0000 | |
182 | K | A | -1.4332 | |
183 | G | A | -0.9902 | |
184 | L | A | -0.9646 | |
185 | W | A | 0.0000 | |
186 | E | A | -1.6143 | |
187 | K | A | -1.3913 | |
188 | A | A | 0.0000 | |
189 | F | A | 0.0000 | |
190 | K | A | -2.5064 | |
191 | D | A | -3.7254 | |
192 | E | A | -3.7163 | |
193 | D | A | -3.2333 | |
194 | T | A | -2.7355 | |
195 | Q | A | -2.0765 | |
196 | A | A | -1.0806 | |
197 | M | A | -0.8612 | |
198 | P | A | -1.3287 | |
199 | F | A | 0.0000 | |
200 | R | A | -2.5261 | |
201 | V | A | -1.8417 | |
202 | T | A | -2.4698 | |
203 | E | A | -3.3509 | |
204 | Q | A | -3.1431 | |
205 | E | A | -3.4370 | |
206 | S | A | -2.5624 | |
207 | K | A | -1.7440 | |
208 | P | A | -1.2203 | |
209 | V | A | -1.2215 | |
210 | Q | A | -1.7774 | |
211 | M | A | 0.0000 | |
212 | M | A | 0.0000 | |
213 | Y | A | -1.1596 | |
214 | Q | A | 0.0000 | |
215 | I | A | -0.3834 | |
216 | G | A | 0.0000 | |
217 | L | A | -1.1719 | |
218 | F | A | 0.0000 | |
219 | R | A | -2.4938 | |
220 | V | A | -1.7006 | |
221 | A | A | 0.0000 | |
222 | S | A | -0.9560 | |
223 | M | A | -0.8570 | |
224 | A | A | -1.0057 | |
225 | S | A | -0.8402 | |
226 | E | A | -1.6670 | |
227 | K | A | -2.7845 | |
228 | M | A | 0.0000 | |
229 | K | A | -1.2809 | |
230 | I | A | 0.0000 | |
231 | L | A | 0.0000 | |
232 | E | A | 0.0000 | |
233 | L | A | 0.0000 | |
234 | P | A | -0.3509 | |
235 | F | A | 0.0000 | |
236 | A | A | 0.0000 | |
237 | S | A | -0.8515 | |
238 | G | A | -0.4705 | |
239 | T | A | -0.1730 | |
240 | M | A | 0.0000 | |
241 | S | A | 0.0000 | |
242 | M | A | 0.0000 | |
243 | L | A | 0.0000 | |
244 | V | A | 0.0000 | |
245 | L | A | 0.0000 | |
246 | L | A | 0.0000 | |
247 | P | A | 0.0000 | |
248 | D | A | -3.2692 | |
249 | E | A | -2.9605 | |
250 | V | A | -1.9069 | |
251 | S | A | -1.9604 | |
252 | G | A | -2.3342 | |
253 | L | A | 0.0000 | |
254 | E | A | -2.6977 | |
255 | Q | A | -2.4524 | |
256 | L | A | 0.0000 | |
257 | E | A | -1.6973 | |
258 | S | A | -1.3483 | |
259 | I | A | -0.6128 | |
260 | I | A | 0.0000 | |
261 | N | A | -1.2145 | |
262 | F | A | -1.2041 | |
263 | E | A | -2.5004 | |
264 | K | A | -1.9603 | |
265 | L | A | 0.0000 | |
266 | T | A | -1.8563 | |
267 | E | A | -2.6134 | |
268 | W | A | 0.0000 | |
269 | T | A | -1.0918 | |
270 | S | A | -1.3221 | |
271 | S | A | -1.6066 | |
272 | N | A | -1.7748 | |
273 | V | A | -1.1176 | |
274 | M | A | 0.0000 | |
275 | E | A | -3.6035 | |
276 | E | A | -3.9185 | |
277 | R | A | -3.8025 | |
278 | K | A | -2.3911 | |
279 | I | A | 0.0000 | |
280 | K | A | -1.1681 | |
281 | V | A | 0.0000 | |
282 | Y | A | -0.5417 | |
283 | L | A | 0.0000 | |
284 | P | A | 0.0000 | |
285 | R | A | -1.4716 | |
286 | M | A | 0.0000 | |
287 | K | A | -2.5752 | |
288 | M | A | 0.0000 | |
289 | E | A | -2.4592 | |
290 | E | A | -1.9066 | |
291 | K | A | -1.8850 | |
292 | Y | A | 0.0000 | |
293 | N | A | -1.4059 | |
294 | L | A | 0.0000 | |
295 | T | A | -0.3881 | |
296 | S | A | -0.3931 | |
297 | V | A | 0.0000 | |
298 | L | A | 0.0000 | |
299 | M | A | 0.2581 | |
300 | A | A | 0.1894 | |
301 | M | A | -0.4055 | |
302 | G | A | -0.3443 | |
303 | I | A | 0.0000 | |
304 | T | A | -0.1690 | |
305 | D | A | -0.6416 | |
306 | V | A | 0.0000 | |
307 | F | A | 0.0000 | |
308 | S | A | -0.5074 | |
309 | S | A | -0.8550 | |
310 | S | A | -0.8696 | |
311 | A | A | -1.4381 | |
312 | N | A | -1.9862 | |
313 | L | A | 0.0000 | |
314 | S | A | -1.1831 | |
315 | G | A | -0.6991 | |
316 | I | A | 0.0000 | |
317 | S | A | 0.0000 | |
318 | S | A | -0.7560 | |
319 | A | A | -1.3792 | |
320 | E | A | -2.1729 | |
321 | S | A | -1.3550 | |
322 | L | A | 0.0000 | |
323 | K | A | -0.9783 | |
324 | I | A | 0.0000 | |
325 | S | A | -0.6257 | |
326 | Q | A | -0.4659 | |
327 | A | A | 0.0000 | |
328 | V | A | 0.0000 | |
329 | H | A | 0.0000 | |
330 | A | A | 0.0000 | |
331 | A | A | 0.0000 | |
332 | H | A | -1.4912 | |
333 | A | A | 0.0000 | |
334 | E | A | -2.0396 | |
335 | I | A | 0.0000 | |
336 | N | A | -1.4623 | |
337 | E | A | 0.0000 | |
338 | A | A | -0.9610 | |
339 | G | A | -1.4563 | |
340 | R | A | -2.5902 | |
341 | E | A | -2.5164 | |
342 | V | A | -0.8672 | |
343 | V | A | -0.5464 | |
344 | G | A | -0.7680 | |
345 | S | A | -0.8120 | |
346 | A | A | -0.9557 | |
347 | E | A | -1.7448 | |
348 | A | A | -0.8411 | |
349 | G | A | -0.4163 | |
350 | V | A | 0.5918 | |
351 | D | A | -1.0104 | |
352 | A | A | -0.6981 | |
353 | A | A | -0.2241 | |
354 | S | A | -0.5621 | |
355 | V | A | 0.0000 | |
356 | S | A | -1.4005 | |
357 | E | A | -2.6569 | |
358 | E | A | -1.7423 | |
359 | F | A | 0.0000 | |
360 | R | A | -1.4185 | |
361 | A | A | 0.0000 | |
362 | D | A | -0.9009 | |
363 | H | A | 0.0000 | |
364 | P | A | 0.0000 | |
365 | F | A | 0.0000 | |
366 | L | A | 0.0000 | |
367 | F | A | 0.0000 | |
368 | C | A | 0.0000 | |
369 | I | A | 0.0000 | |
370 | K | A | 0.0000 | |
371 | H | A | 0.0000 | |
372 | I | A | 0.1793 | |
373 | A | A | -0.0390 | |
374 | T | A | -0.3808 | |
375 | N | A | -1.0006 | |
376 | A | A | 0.0000 | |
377 | V | A | 0.0000 | |
378 | L | A | 0.0000 | |
379 | F | A | 0.0000 | |
380 | F | A | 0.0000 | |
381 | G | A | 0.0000 | |
382 | R | A | 0.0000 | |
383 | C | A | 0.0000 | |
384 | V | A | 0.0000 | |
385 | S | A | -0.7786 | |
386 | P | A | -0.8638 |