Chain sequence(s) | A: LDNGLARTPTMGWLHWERFMCNLDCQEEPDSCISEKLFMEMAELMVSEGWKDAGYEYLCIDDCWMAPQRDSEGRLQADPQRFPHGIRQLANYVHSKGLKLGIYADVGNKTCAGFPGSFGYYDIDAQTFADWGVDLLKFDGCYCDSLENLADGYKHMSLALNRTGRSIVYSCEWPLYMWPFQKPNYTEIRQYCNHWRNFADIDDSWKSIKSILDWTSFNQERIVDVAGPGGWNDPDMLVIGNFGLSWNQQVTQMALWAIMAAPLFMSNDLRHISPQAKALLQDKDVIAINQDPLGKQGYQLRQGDNFEVWERPLSGLAWAVAMINRQEIGGPRSYTIAVASLGKGVACNPACFITQLLPVKRKLGFYEWTSRLRSHINPTGTVLLQLENTM |
Distance of aggregation | 10 Å |
Dynamic mode | Yes |
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 | |
32 | L | A | 1.1279 | |
33 | D | A | 0.0000 | |
34 | N | A | -1.3027 | |
35 | G | A | -0.9707 | |
36 | L | A | -0.4889 | |
37 | A | A | 0.0000 | |
38 | R | A | -1.4549 | |
39 | T | A | -0.9487 | |
40 | P | A | 0.0000 | |
41 | T | A | -0.5029 | |
42 | M | A | 0.0000 | |
43 | G | A | 0.0000 | |
44 | W | A | 0.0000 | |
45 | L | A | 0.0000 | |
46 | H | A | 0.0000 | |
47 | W | A | 0.0099 | |
48 | E | A | -1.3724 | |
49 | R | A | -0.1359 | |
50 | F | A | 0.8154 | |
51 | M | A | 0.0000 | |
52 | C | A | 0.0680 | |
53 | N | A | -0.5295 | |
54 | L | A | -0.0175 | |
55 | D | A | -1.9725 | |
56 | C | A | -2.0765 | |
57 | Q | A | -3.0582 | |
58 | E | A | -3.4991 | |
59 | E | A | -3.6705 | |
60 | P | A | -3.0501 | |
61 | D | A | -3.3723 | |
62 | S | A | 0.0000 | |
63 | C | A | 0.0000 | |
64 | I | A | 0.0000 | |
65 | S | A | -1.6992 | |
66 | E | A | -2.6330 | |
67 | K | A | -2.5529 | |
68 | L | A | 0.0000 | |
69 | F | A | 0.0000 | |
70 | M | A | -1.2209 | |
71 | E | A | -1.6103 | |
72 | M | A | 0.0000 | |
73 | A | A | 0.0000 | |
74 | E | A | -1.5936 | |
75 | L | A | -0.9118 | |
76 | M | A | 0.0000 | |
77 | V | A | -1.6161 | |
78 | S | A | -1.7613 | |
79 | E | A | -2.9444 | |
80 | G | A | -2.1989 | |
81 | W | A | 0.0000 | |
82 | K | A | -3.4667 | |
83 | D | A | -3.2050 | |
84 | A | A | -2.2730 | |
85 | G | A | -1.4764 | |
86 | Y | A | 0.0000 | |
87 | E | A | -1.4226 | |
88 | Y | A | -0.4737 | |
89 | L | A | 0.0000 | |
90 | C | A | 0.0000 | |
91 | I | A | 0.0000 | |
92 | D | A | 0.0000 | |
93 | D | A | -0.0279 | |
94 | C | A | 0.0000 | |
95 | W | A | 0.0000 | |
96 | M | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | P | A | -1.5843 | |
99 | Q | A | -2.8764 | |
100 | R | A | -4.0078 | |
101 | D | A | -3.8871 | |
102 | S | A | -2.6454 | |
103 | E | A | -3.3240 | |
104 | G | A | -3.1229 | |
105 | R | A | -3.5096 | |
106 | L | A | 0.0000 | |
107 | Q | A | -1.9351 | |
108 | A | A | -1.2757 | |
109 | D | A | -1.4199 | |
110 | P | A | -1.2061 | |
111 | Q | A | -2.0065 | |
112 | R | A | -2.3583 | |
113 | F | A | 0.0000 | |
114 | P | A | -1.9065 | |
115 | H | A | -1.8222 | |
116 | G | A | 0.0000 | |
117 | I | A | 0.0000 | |
118 | R | A | -2.8543 | |
119 | Q | A | -2.4216 | |
120 | L | A | 0.0000 | |
121 | A | A | 0.0000 | |
122 | N | A | -2.0112 | |
123 | Y | A | -0.4088 | |
124 | V | A | 0.0000 | |
125 | H | A | -1.7191 | |
126 | S | A | -1.0258 | |
127 | K | A | -1.4707 | |
128 | G | A | -1.5005 | |
129 | L | A | 0.0000 | |
130 | K | A | -2.0311 | |
131 | L | A | 0.0000 | |
132 | G | A | 0.0000 | |
133 | I | A | 0.0000 | |
134 | Y | A | 0.0000 | |
135 | A | A | 0.0000 | |
136 | D | A | 0.0000 | |
137 | V | A | 0.0132 | |
138 | G | A | 0.0000 | |
139 | N | A | -1.9437 | |
140 | K | A | -2.0568 | |
141 | T | A | 0.0000 | |
142 | C | A | 0.0101 | |
143 | A | A | -0.3195 | |
144 | G | A | -1.1679 | |
145 | F | A | 0.0000 | |
146 | P | A | -1.5469 | |
147 | G | A | 0.0000 | |
148 | S | A | 0.0000 | |
149 | F | A | 0.0000 | |
150 | G | A | 0.1146 | |
151 | Y | A | 0.7612 | |
152 | Y | A | 0.6958 | |
153 | D | A | 0.0191 | |
154 | I | A | 0.2991 | |
155 | D | A | 0.0000 | |
156 | A | A | 0.0000 | |
157 | Q | A | -1.7088 | |
158 | T | A | -0.9515 | |
159 | F | A | 0.0000 | |
160 | A | A | -1.7597 | |
161 | D | A | -2.4847 | |
162 | W | A | -1.7816 | |
163 | G | A | -1.7950 | |
164 | V | A | 0.0000 | |
165 | D | A | -0.7232 | |
166 | L | A | 0.0619 | |
167 | L | A | 0.0000 | |
168 | K | A | 0.0000 | |
169 | F | A | 0.0000 | |
170 | D | A | -0.0353 | |
171 | G | A | 0.3029 | |
172 | C | A | 0.6472 | |
173 | Y | A | 0.7753 | |
174 | C | A | -0.1727 | |
175 | D | A | -1.7489 | |
176 | S | A | -0.8347 | |
177 | L | A | -0.4526 | |
178 | E | A | -2.7357 | |
179 | N | A | -2.5998 | |
180 | L | A | -1.3431 | |
181 | A | A | -1.6192 | |
182 | D | A | -2.7374 | |
183 | G | A | -1.5599 | |
184 | Y | A | 0.0000 | |
185 | K | A | -1.0059 | |
186 | H | A | -0.9864 | |
187 | M | A | 0.0000 | |
188 | S | A | -0.1744 | |
189 | L | A | 0.0355 | |
190 | A | A | 0.0000 | |
191 | L | A | 0.0000 | |
192 | N | A | -1.9977 | |
193 | R | A | -2.6504 | |
194 | T | A | -2.2312 | |
195 | G | A | -2.3974 | |
196 | R | A | -2.8714 | |
197 | S | A | -1.3536 | |
198 | I | A | 0.0000 | |
199 | V | A | -0.0509 | |
200 | Y | A | 0.0000 | |
201 | S | A | 0.0000 | |
202 | C | A | 0.0000 | |
203 | E | A | 0.0544 | |
204 | W | A | 0.7241 | |
205 | P | A | 0.0000 | |
206 | L | A | 1.3224 | |
207 | Y | A | 1.8828 | |
208 | M | A | 0.9916 | |
209 | W | A | 0.0000 | |
210 | P | A | 0.5272 | |
211 | F | A | 1.1095 | |
212 | Q | A | -1.1215 | |
213 | K | A | -1.9683 | |
214 | P | A | -1.6647 | |
215 | N | A | -1.9506 | |
216 | Y | A | 0.0000 | |
217 | T | A | -1.1786 | |
218 | E | A | -1.3373 | |
219 | I | A | -0.4793 | |
220 | R | A | -0.3381 | |
221 | Q | A | -0.0725 | |
222 | Y | A | 0.6897 | |
223 | C | A | 0.0000 | |
224 | N | A | 0.0000 | |
225 | H | A | -0.2352 | |
226 | W | A | 0.0000 | |
227 | R | A | 0.0000 | |
228 | N | A | 0.0000 | |
229 | F | A | -0.0581 | |
230 | A | A | 0.0000 | |
231 | D | A | -1.3956 | |
232 | I | A | 0.0000 | |
233 | D | A | -2.7580 | |
234 | D | A | -2.6396 | |
235 | S | A | -1.3617 | |
236 | W | A | -0.5005 | |
237 | K | A | -1.7747 | |
238 | S | A | -1.6029 | |
239 | I | A | 0.0000 | |
240 | K | A | -1.1248 | |
241 | S | A | -0.9887 | |
242 | I | A | -0.5932 | |
243 | L | A | -0.1649 | |
244 | D | A | -0.3296 | |
245 | W | A | 0.6793 | |
246 | T | A | 0.0000 | |
247 | S | A | 0.2512 | |
248 | F | A | 1.0248 | |
249 | N | A | 0.0000 | |
250 | Q | A | 0.0000 | |
251 | E | A | -1.8559 | |
252 | R | A | -1.9185 | |
253 | I | A | 0.0000 | |
254 | V | A | -1.3965 | |
255 | D | A | -2.0179 | |
256 | V | A | -1.1266 | |
257 | A | A | 0.0000 | |
258 | G | A | -0.8028 | |
259 | P | A | -0.5941 | |
260 | G | A | 0.0000 | |
261 | G | A | 0.0000 | |
262 | W | A | 0.0000 | |
263 | N | A | 0.0000 | |
264 | D | A | 0.0000 | |
265 | P | A | 0.0000 | |
266 | D | A | 0.0000 | |
267 | M | A | 0.0000 | |
268 | L | A | 0.0000 | |
269 | V | A | 0.0000 | |
270 | I | A | 0.0000 | |
271 | G | A | -0.5483 | |
272 | N | A | -0.7873 | |
273 | F | A | 0.7033 | |
274 | G | A | -0.2017 | |
275 | L | A | 0.0000 | |
276 | S | A | 0.5752 | |
277 | W | A | 0.4984 | |
278 | N | A | -0.0964 | |
279 | Q | A | 0.0000 | |
280 | Q | A | 0.0000 | |
281 | V | A | 0.0000 | |
282 | T | A | 0.0000 | |
283 | Q | A | 0.0000 | |
284 | M | A | 0.0000 | |
285 | A | A | 0.0000 | |
286 | L | A | 0.0000 | |
287 | W | A | 0.0000 | |
288 | A | A | 0.0000 | |
289 | I | A | 0.0000 | |
290 | M | A | 0.0000 | |
291 | A | A | 0.0000 | |
292 | A | A | 0.0000 | |
293 | P | A | -0.2295 | |
294 | L | A | 0.0000 | |
295 | F | A | 0.0000 | |
296 | M | A | 0.0000 | |
297 | S | A | 0.0000 | |
298 | N | A | 0.0000 | |
299 | D | A | -1.1702 | |
300 | L | A | -1.0744 | |
301 | R | A | -2.0412 | |
302 | H | A | -1.5409 | |
303 | I | A | -1.0806 | |
304 | S | A | -1.4015 | |
305 | P | A | -1.3610 | |
306 | Q | A | -1.4085 | |
307 | A | A | 0.0000 | |
308 | K | A | -1.8522 | |
309 | A | A | -1.0816 | |
310 | L | A | 0.0000 | |
311 | L | A | 0.0000 | |
312 | Q | A | -1.4676 | |
313 | D | A | -1.5966 | |
314 | K | A | -2.1713 | |
315 | D | A | -1.3330 | |
316 | V | A | 0.0000 | |
317 | I | A | -0.9214 | |
318 | A | A | -1.1525 | |
319 | I | A | 0.0000 | |
320 | N | A | -0.9350 | |
321 | Q | A | -1.5567 | |
322 | D | A | -1.2324 | |
323 | P | A | 0.0000 | |
324 | L | A | -0.4835 | |
325 | G | A | -0.5616 | |
326 | K | A | 0.0000 | |
327 | Q | A | -0.8349 | |
328 | G | A | 0.0000 | |
329 | Y | A | 0.0256 | |
330 | Q | A | -0.1369 | |
331 | L | A | -0.1652 | |
332 | R | A | -2.1963 | |
333 | Q | A | -2.5895 | |
334 | G | A | -2.3549 | |
335 | D | A | -2.8479 | |
336 | N | A | -1.9697 | |
337 | F | A | -1.4406 | |
338 | E | A | 0.0000 | |
339 | V | A | 0.0000 | |
340 | W | A | 0.0000 | |
341 | E | A | 0.0000 | |
342 | R | A | 0.0000 | |
343 | P | A | -0.2477 | |
344 | L | A | 0.0000 | |
345 | S | A | -0.2294 | |
346 | G | A | 0.3363 | |
347 | L | A | 1.0610 | |
348 | A | A | -0.2884 | |
349 | W | A | 0.0000 | |
350 | A | A | 0.0000 | |
351 | V | A | 0.0000 | |
352 | A | A | 0.0000 | |
353 | M | A | 0.0000 | |
354 | I | A | 0.0000 | |
355 | N | A | 0.0000 | |
356 | R | A | -1.5865 | |
357 | Q | A | -1.7626 | |
358 | E | A | -1.5061 | |
359 | I | A | 0.4877 | |
360 | G | A | -0.2736 | |
361 | G | A | -0.4898 | |
362 | P | A | -0.5796 | |
363 | R | A | -0.8472 | |
364 | S | A | -0.7127 | |
365 | Y | A | -0.5024 | |
366 | T | A | -0.9543 | |
367 | I | A | 0.0000 | |
368 | A | A | -0.9388 | |
369 | V | A | 0.0000 | |
370 | A | A | -0.5036 | |
371 | S | A | -0.9467 | |
372 | L | A | 0.0000 | |
373 | G | A | -0.7184 | |
374 | K | A | -1.5067 | |
375 | G | A | -0.3225 | |
376 | V | A | 1.2986 | |
377 | A | A | 0.3550 | |
378 | C | A | 0.0000 | |
379 | N | A | -0.2682 | |
380 | P | A | -0.1488 | |
381 | A | A | 0.0139 | |
382 | C | A | 0.0000 | |
383 | F | A | 1.2527 | |
384 | I | A | 0.0000 | |
385 | T | A | 0.0000 | |
386 | Q | A | -1.0394 | |
387 | L | A | 0.0000 | |
388 | L | A | 0.0000 | |
389 | P | A | 0.2901 | |
390 | V | A | 0.3885 | |
391 | K | A | -1.5358 | |
392 | R | A | -2.1747 | |
393 | K | A | -1.0860 | |
394 | L | A | 1.1230 | |
395 | G | A | 1.5279 | |
396 | F | A | 2.4127 | |
397 | Y | A | 0.6572 | |
398 | E | A | -0.9014 | |
399 | W | A | 0.1233 | |
400 | T | A | -0.3701 | |
401 | S | A | 0.0000 | |
402 | R | A | -1.9607 | |
403 | L | A | 0.0000 | |
404 | R | A | -1.6249 | |
405 | S | A | 0.0000 | |
406 | H | A | -0.8995 | |
407 | I | A | 0.0000 | |
408 | N | A | -0.7705 | |
409 | P | A | -0.7098 | |
410 | T | A | -0.9783 | |
411 | G | A | 0.0000 | |
412 | T | A | 0.0000 | |
413 | V | A | 0.0000 | |
414 | L | A | 0.0000 | |
415 | L | A | 0.0000 | |
416 | Q | A | 0.0000 | |
417 | L | A | 0.0000 | |
418 | E | A | -0.9324 | |
419 | N | A | 0.1770 | |
420 | T | A | 0.2990 | |
421 | M | A | 1.2441 |
Above is the comparison between the input structure and the most aggregation prone model (predicted in the flexibility simulations, download both models in the PDB file format , download table with rmsd values ). The picture presents the most aggregation prone model (in blue) superimposed on the input structure (in red). The plot shows rmsd profile (distances between residues of the superimposed structures).
Dynamic mode uses CABS-flex simulations of protein structure fluctuations. The structure fluctuations may have impact on the size and extent of aggregation "hot-spots" on the protein surface. The dynamic mode uses the following pipeline: (1) based on the input structure, CABS-flex predicts a set of different models reflecting protein dynamics in solution; (2) for each of these models A3D score is calculated; (3) finally, the most aggregation prone model (the model with the highest A3D score, -0.6289 in this case) is selected and presented in A3D results.