Chain sequence(s) |
A: MPGIKRILTVTILALCLPSPGNAQAQCTNGFDLDRQSGQCLDIDECRTIPEACRGDMMCVNQNGGYLCIPRTNPVYRGPYSNPYSTPYSGPYPAAAPPLSAPNYPTISRPLICRFGYQMDESNQCVDVDECATDSHQCNPTQICINTEGGYTCSCTDGYWLLEGQCLDIDECRYGYCQQLCANVPGSYSCTCNPGFTLNEDGRSCQDVNECATENPCVQTCVNTYGSFICRCDPGYELEEDGVHCSDMDECSFSEFLCQHECVNQPGTYFCSCPPGYILLDDNRSCQDINECEHRNHTCNLQQTCYNLQGGFKCIDPIRCEEPYLRISDNRCMCPAENPGCRDQPFTILYRDMDVVSGRSVPADIFQMQATTRYPGAYYIFQIKSGNEGREFYMRQTGPISATLVMTRPIKGPREIQLDLEMITVNTVINFRGSSVIRLRIYVSQYPF
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | IA7A |
Energy difference between WT (input) and mutated protein (by FoldX) | 0.542124 kcal/mol |
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 (00:01:06) [INFO] FoldX: Starting FoldX energy minimalization (00:01:08) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:09) [INFO] Main: Simulation completed successfully. (00:02:13) |
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 | 0.0557 | |
2 | P | A | -1.3709 | |
3 | G | A | -1.8141 | |
4 | I | A | 0.0000 | |
5 | K | A | -2.9092 | |
6 | R | A | -2.6254 | |
7 | A | A | -0.5474 | mutated: IA7A |
8 | L | A | 0.9571 | |
9 | T | A | -0.2435 | |
10 | V | A | 0.4197 | |
11 | T | A | 1.5182 | |
12 | I | A | 2.5596 | |
13 | L | A | 1.1226 | |
14 | A | A | 1.2051 | |
15 | L | A | 1.7639 | |
16 | C | A | 1.0975 | |
17 | L | A | 0.3097 | |
18 | P | A | -1.0505 | |
19 | S | A | -0.9710 | |
20 | P | A | -0.9290 | |
21 | G | A | -1.6469 | |
22 | N | A | -2.6546 | |
23 | A | A | -2.1606 | |
24 | Q | A | -1.9939 | |
25 | A | A | 0.0000 | |
26 | Q | A | -0.9493 | |
27 | C | A | -0.1963 | |
28 | T | A | -0.6177 | |
29 | N | A | -2.0171 | |
30 | G | A | -2.1749 | |
31 | F | A | 0.0000 | |
32 | D | A | -0.5883 | |
33 | L | A | -0.2877 | |
34 | D | A | -1.3002 | |
35 | R | A | -2.4024 | |
36 | Q | A | -2.1135 | |
37 | S | A | -1.6969 | |
38 | G | A | 0.0000 | |
39 | Q | A | -1.2916 | |
40 | C | A | 0.0000 | |
41 | L | A | 0.5012 | |
42 | D | A | -1.2469 | |
43 | I | A | -1.1433 | |
44 | D | A | -2.6850 | |
45 | E | A | -2.1419 | |
46 | C | A | -1.6455 | |
47 | R | A | -2.2851 | |
48 | T | A | -0.6953 | |
49 | I | A | 1.1282 | |
50 | P | A | -0.6245 | |
51 | E | A | -2.2032 | |
52 | A | A | -0.8288 | |
53 | C | A | -0.3726 | |
54 | R | A | -1.1372 | |
55 | G | A | -1.2707 | |
56 | D | A | -1.1986 | |
57 | M | A | 0.0000 | |
58 | M | A | 0.2199 | |
59 | C | A | -0.3491 | |
60 | V | A | 0.1353 | |
61 | N | A | -2.2336 | |
62 | Q | A | -2.5396 | |
63 | N | A | -2.7376 | |
64 | G | A | -1.4749 | |
65 | G | A | -1.5071 | |
66 | Y | A | -0.7766 | |
67 | L | A | 0.5029 | |
68 | C | A | 0.5421 | |
69 | I | A | 0.7659 | |
70 | P | A | 0.0000 | |
71 | R | A | -1.1368 | |
72 | T | A | -0.4151 | |
73 | N | A | -0.1122 | |
74 | P | A | 0.0000 | |
75 | V | A | 1.2532 | |
76 | Y | A | 0.9116 | |
77 | R | A | -0.5347 | |
78 | G | A | -0.7338 | |
79 | P | A | -0.1770 | |
80 | Y | A | 0.5794 | |
81 | S | A | 0.0479 | |
82 | N | A | 0.2672 | |
83 | P | A | 0.4687 | |
84 | Y | A | 1.4326 | |
85 | S | A | 1.0069 | |
86 | T | A | 0.7675 | |
87 | P | A | 0.0000 | |
88 | Y | A | 1.2800 | |
89 | S | A | 0.1891 | |
90 | G | A | -0.3139 | |
91 | P | A | -0.1888 | |
92 | Y | A | 0.3133 | |
93 | P | A | -0.1439 | |
94 | A | A | -0.0874 | |
95 | A | A | -0.0398 | |
96 | A | A | 0.3170 | |
97 | P | A | 0.2809 | |
98 | P | A | 0.4964 | |
99 | L | A | 0.3867 | |
100 | S | A | -0.0188 | |
101 | A | A | -0.4505 | |
102 | P | A | -0.7672 | |
103 | N | A | -1.2384 | |
104 | Y | A | -0.2894 | |
105 | P | A | 0.0546 | |
106 | T | A | 0.3522 | |
107 | I | A | 1.3425 | |
108 | S | A | -0.0850 | |
109 | R | A | -0.2535 | |
110 | P | A | 0.2979 | |
111 | L | A | 0.9628 | |
112 | I | A | 1.0981 | |
113 | C | A | 0.0000 | |
114 | R | A | -0.0968 | |
115 | F | A | 1.2453 | |
116 | G | A | -0.1148 | |
117 | Y | A | 0.0000 | |
118 | Q | A | -1.3169 | |
119 | M | A | -1.5148 | |
120 | D | A | -1.8975 | |
121 | E | A | 0.0000 | |
122 | S | A | -0.8083 | |
123 | N | A | -1.9204 | |
124 | Q | A | -1.7487 | |
125 | C | A | -0.8770 | |
126 | V | A | -0.5665 | |
127 | D | A | -2.0022 | |
128 | V | A | -1.5836 | |
129 | D | A | -2.8239 | |
130 | E | A | -2.8226 | |
131 | C | A | 0.0000 | |
132 | A | A | -1.2259 | |
133 | T | A | -1.3310 | |
134 | D | A | -2.1159 | |
135 | S | A | -1.4632 | |
136 | H | A | -1.6651 | |
137 | Q | A | -1.1659 | |
138 | C | A | -0.6261 | |
139 | N | A | -0.7454 | |
140 | P | A | -0.7713 | |
141 | T | A | -0.7251 | |
142 | Q | A | -0.5739 | |
143 | I | A | 0.0000 | |
144 | C | A | 0.0000 | |
145 | I | A | 0.0000 | |
146 | N | A | -1.9475 | |
147 | T | A | 0.0000 | |
148 | E | A | -2.7051 | |
149 | G | A | -1.7641 | |
150 | G | A | -1.2128 | |
151 | Y | A | -0.8353 | |
152 | T | A | -0.5227 | |
153 | C | A | -0.5203 | |
154 | S | A | -0.7220 | |
155 | C | A | -0.1133 | |
156 | T | A | -0.9244 | |
157 | D | A | -1.4396 | |
158 | G | A | -0.8717 | |
159 | Y | A | 0.2511 | |
160 | W | A | 1.3300 | |
161 | L | A | 0.0000 | |
162 | L | A | 1.3483 | |
163 | E | A | 0.0000 | |
164 | G | A | 0.0000 | |
165 | Q | A | -0.9639 | |
166 | C | A | 0.0000 | |
167 | L | A | 0.0000 | |
168 | D | A | -2.6273 | |
169 | I | A | 0.0000 | |
170 | D | A | -2.6785 | |
171 | E | A | -1.8476 | |
172 | C | A | -1.2790 | |
173 | R | A | -1.6424 | |
174 | Y | A | -0.4479 | |
175 | G | A | -0.5451 | |
176 | Y | A | -0.5406 | |
177 | C | A | -0.5756 | |
178 | Q | A | -1.4045 | |
179 | Q | A | -0.2760 | |
180 | L | A | 0.9401 | |
181 | C | A | 0.5282 | |
182 | A | A | 0.2298 | |
183 | N | A | -1.0699 | |
184 | V | A | -0.2514 | |
185 | P | A | -0.6407 | |
186 | G | A | -0.8100 | |
187 | S | A | 0.0000 | |
188 | Y | A | 0.0000 | |
189 | S | A | 0.0000 | |
190 | C | A | 0.0000 | |
191 | T | A | 1.0802 | |
192 | C | A | 1.0594 | |
193 | N | A | 0.0000 | |
194 | P | A | 0.0000 | |
195 | G | A | 0.0000 | |
196 | F | A | 0.8661 | |
197 | T | A | 0.4964 | |
198 | L | A | 0.0000 | |
199 | N | A | 0.0000 | |
200 | E | A | 0.0000 | |
201 | D | A | -1.6297 | |
202 | G | A | 0.0000 | |
203 | R | A | -2.0473 | |
204 | S | A | 0.0000 | |
205 | C | A | -1.2621 | |
206 | Q | A | -1.5417 | |
207 | D | A | -2.0908 | |
208 | V | A | -1.0681 | |
209 | N | A | -2.1522 | |
210 | E | A | 0.0000 | |
211 | C | A | 0.0000 | |
212 | A | A | -1.0397 | |
213 | T | A | -1.3329 | |
214 | E | A | -2.8185 | |
215 | N | A | -2.2596 | |
216 | P | A | 0.0000 | |
217 | C | A | 0.0000 | |
218 | V | A | 0.0000 | |
219 | Q | A | 0.0000 | |
220 | T | A | 0.0000 | |
221 | C | A | 0.0000 | |
222 | V | A | 0.0000 | |
223 | N | A | -0.1441 | |
224 | T | A | 0.1829 | |
225 | Y | A | 0.9249 | |
226 | G | A | 0.0000 | |
227 | S | A | 0.0127 | |
228 | F | A | -0.0038 | |
229 | I | A | -0.5013 | |
230 | C | A | -0.6698 | |
231 | R | A | -1.9351 | |
232 | C | A | -1.4953 | |
233 | D | A | -2.5365 | |
234 | P | A | -1.9639 | |
235 | G | A | -2.0132 | |
236 | Y | A | 0.0000 | |
237 | E | A | -3.1357 | |
238 | L | A | -2.7870 | |
239 | E | A | -3.7120 | |
240 | E | A | -3.9573 | |
241 | D | A | -3.3222 | |
242 | G | A | -2.2389 | |
243 | V | A | 0.0000 | |
244 | H | A | -2.2136 | |
245 | C | A | 0.0000 | |
246 | S | A | -1.5598 | |
247 | D | A | -1.9427 | |
248 | M | A | -1.9203 | |
249 | D | A | -2.2953 | |
250 | E | A | 0.0000 | |
251 | C | A | -1.2978 | |
252 | S | A | -1.2693 | |
253 | F | A | 0.0000 | |
254 | S | A | -0.8671 | |
255 | E | A | -0.9227 | |
256 | F | A | -1.3733 | |
257 | L | A | -0.7457 | |
258 | C | A | -0.3609 | |
259 | Q | A | -1.5152 | |
260 | H | A | -1.8327 | |
261 | E | A | -2.5354 | |
262 | C | A | -1.1935 | |
263 | V | A | -0.4752 | |
264 | N | A | -1.5837 | |
265 | Q | A | -2.0387 | |
266 | P | A | -1.4555 | |
267 | G | A | -1.4751 | |
268 | T | A | 0.0000 | |
269 | Y | A | -0.8053 | |
270 | F | A | 0.0000 | |
271 | C | A | -0.3195 | |
272 | S | A | -0.6754 | |
273 | C | A | 0.0000 | |
274 | P | A | -0.5299 | |
275 | P | A | -0.4978 | |
276 | G | A | -0.4126 | |
277 | Y | A | 0.0009 | |
278 | I | A | 0.0000 | |
279 | L | A | 0.0000 | |
280 | L | A | 0.0000 | |
281 | D | A | 0.0000 | |
282 | D | A | -1.1502 | |
283 | N | A | 0.0000 | |
284 | R | A | -1.3994 | |
285 | S | A | 0.0000 | |
286 | C | A | -0.5801 | |
287 | Q | A | 0.0000 | |
288 | D | A | 0.0000 | |
289 | I | A | 0.0000 | |
290 | N | A | 0.0000 | |
291 | E | A | 0.0000 | |
292 | C | A | -0.8039 | |
293 | E | A | -0.6399 | |
294 | H | A | -0.8486 | |
295 | R | A | -1.1085 | |
296 | N | A | -1.1528 | |
297 | H | A | -1.1819 | |
298 | T | A | -0.8757 | |
299 | C | A | -0.4504 | |
300 | N | A | -0.3369 | |
301 | L | A | 0.6629 | |
302 | Q | A | -0.5297 | |
303 | Q | A | -0.2724 | |
304 | T | A | -0.2293 | |
305 | C | A | 0.2500 | |
306 | Y | A | 0.4083 | |
307 | N | A | -0.7536 | |
308 | L | A | -0.1654 | |
309 | Q | A | -1.0264 | |
310 | G | A | -0.7024 | |
311 | G | A | 0.0000 | |
312 | F | A | 0.1295 | |
313 | K | A | 0.1588 | |
314 | C | A | -0.0670 | |
315 | I | A | 0.0000 | |
316 | D | A | -0.3251 | |
317 | P | A | 0.0056 | |
318 | I | A | 1.1346 | |
319 | R | A | -0.1570 | |
320 | C | A | -0.3882 | |
321 | E | A | -1.0361 | |
322 | E | A | -1.5681 | |
323 | P | A | -0.8812 | |
324 | Y | A | 0.0736 | |
325 | L | A | 0.5152 | |
326 | R | A | -0.8174 | |
327 | I | A | 0.7312 | |
328 | S | A | -1.0590 | |
329 | D | A | -2.1699 | |
330 | N | A | -1.3709 | |
331 | R | A | -1.9346 | |
332 | C | A | -0.0851 | |
333 | M | A | 1.0091 | |
334 | C | A | 0.0000 | |
335 | P | A | -0.0404 | |
336 | A | A | -0.8350 | |
337 | E | A | -2.2240 | |
338 | N | A | -1.4033 | |
339 | P | A | -0.9374 | |
340 | G | A | 0.0000 | |
341 | C | A | -0.0208 | |
342 | R | A | -1.2230 | |
343 | D | A | -1.9308 | |
344 | Q | A | -1.1663 | |
345 | P | A | -0.2574 | |
346 | F | A | 1.3092 | |
347 | T | A | 0.5800 | |
348 | I | A | 0.8802 | |
349 | L | A | 0.8108 | |
350 | Y | A | 0.0198 | |
351 | R | A | -1.5432 | |
352 | D | A | -2.0485 | |
353 | M | A | -0.3256 | |
354 | D | A | -0.8011 | |
355 | V | A | 1.6816 | |
356 | V | A | 1.3856 | |
357 | S | A | 0.5440 | |
358 | G | A | -0.5756 | |
359 | R | A | -1.6977 | |
360 | S | A | -0.8890 | |
361 | V | A | 0.6167 | |
362 | P | A | -0.7570 | |
363 | A | A | 0.0000 | |
364 | D | A | -0.7917 | |
365 | I | A | 0.7485 | |
366 | F | A | 1.9348 | |
367 | Q | A | 0.9280 | |
368 | M | A | 0.9910 | |
369 | Q | A | -0.7177 | |
370 | A | A | -0.5308 | |
371 | T | A | -0.6019 | |
372 | T | A | -0.7751 | |
373 | R | A | -1.2372 | |
374 | Y | A | 0.5354 | |
375 | P | A | -0.1864 | |
376 | G | A | -0.0070 | |
377 | A | A | 1.2225 | |
378 | Y | A | 2.5357 | |
379 | Y | A | 2.5967 | |
380 | I | A | 2.1098 | |
381 | F | A | 0.9843 | |
382 | Q | A | -0.7420 | |
383 | I | A | -0.8633 | |
384 | K | A | -2.3524 | |
385 | S | A | -2.4586 | |
386 | G | A | -2.8151 | |
387 | N | A | -3.3770 | |
388 | E | A | -3.7065 | |
389 | G | A | -3.0662 | |
390 | R | A | -3.1191 | |
391 | E | A | -1.6780 | |
392 | F | A | 0.8956 | |
393 | Y | A | 1.1490 | |
394 | M | A | 0.7517 | |
395 | R | A | -1.3748 | |
396 | Q | A | -1.7567 | |
397 | T | A | -1.0779 | |
398 | G | A | -0.5370 | |
399 | P | A | 0.2297 | |
400 | I | A | 1.6454 | |
401 | S | A | 0.7933 | |
402 | A | A | 1.0596 | |
403 | T | A | 1.5337 | |
404 | L | A | 2.6224 | |
405 | V | A | 2.7926 | |
406 | M | A | 1.6233 | |
407 | T | A | -0.6609 | |
408 | R | A | -2.1576 | |
409 | P | A | -1.6219 | |
410 | I | A | -1.7290 | |
411 | K | A | -2.6751 | |
412 | G | A | -1.9989 | |
413 | P | A | -1.7620 | |
414 | R | A | -3.0064 | |
415 | E | A | -2.4427 | |
416 | I | A | -0.4993 | |
417 | Q | A | -0.6361 | |
418 | L | A | -0.3186 | |
419 | D | A | -1.4688 | |
420 | L | A | -1.0666 | |
421 | E | A | -1.9174 | |
422 | M | A | -0.2073 | |
423 | I | A | 0.8167 | |
424 | T | A | 1.2379 | |
425 | V | A | 1.7631 | |
426 | N | A | 1.2620 | |
427 | T | A | 1.2032 | |
428 | V | A | 1.7038 | |
429 | I | A | 1.6945 | |
430 | N | A | -0.0522 | |
431 | F | A | -0.1115 | |
432 | R | A | -2.1378 | |
433 | G | A | -1.1180 | |
434 | S | A | -0.8652 | |
435 | S | A | 0.0843 | |
436 | V | A | 1.1385 | |
437 | I | A | -0.4390 | |
438 | R | A | -1.8243 | |
439 | L | A | -1.1138 | |
440 | R | A | -1.2488 | |
441 | I | A | 1.1657 | |
442 | Y | A | 2.0264 | |
443 | V | A | 1.8448 | |
444 | S | A | 0.6003 | |
445 | Q | A | -0.1255 | |
446 | Y | A | 1.3211 | |
447 | P | A | 1.0455 | |
448 | F | A | 2.0971 |