Chain sequence(s) |
A: MRSGSHHHHHHRSDITSLYKKAGSAAAPFTMENLYFQSYQGNSDCYFGNGSAYRGTHSLTESGASCLPWNSMILIGKVYTAQNPSAQALGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVPSCSTCGLRQYSQPQFRIKGGLFADIASHPWQAAIFAKHRRSPGERFLCGGILISSCWILSAAHCFQERFPPHHLTVILGRTYRVVPGEEEQKFEVEKYIVHKEFDDDTYDNDIALLQLKSDSSRCAQESSVVRTVCLPPADLQLPDWTECELSGYGKHEALSPFYSERLKEAHVRLYPSSRCTSQHLLNRTVTDNMLCAGDTRSGGPQANLHDACQGDSGGPLVCLNDGRMTLVGIISWGLGCGQKDVPGVYTKVTNYLDWIRDNMRP |
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 | |
1 | M | A | -0.0731 | |
2 | R | A | -1.8700 | |
3 | S | A | -1.0180 | |
4 | G | A | -0.7333 | |
5 | S | A | -0.9257 | |
6 | H | A | -1.2045 | |
7 | H | A | -1.3132 | |
8 | H | A | -2.0180 | |
9 | H | A | -2.0872 | |
10 | H | A | -2.1319 | |
11 | H | A | -2.6410 | |
12 | R | A | -2.7973 | |
13 | S | A | -1.8290 | |
14 | D | A | -1.9011 | |
15 | I | A | 0.9356 | |
16 | T | A | 0.8889 | |
17 | S | A | 1.0265 | |
18 | L | A | 2.2214 | |
19 | Y | A | 1.0611 | |
20 | K | A | -0.8656 | |
21 | K | A | -1.8303 | |
22 | A | A | -0.8922 | |
23 | G | A | -0.8046 | |
24 | S | A | -0.3657 | |
25 | A | A | 0.3854 | |
26 | A | A | 1.0315 | |
27 | A | A | 0.4197 | |
28 | P | A | 0.5794 | |
29 | F | A | 1.4244 | |
30 | T | A | 0.9618 | |
31 | M | A | 0.8422 | |
32 | E | A | -0.9851 | |
33 | N | A | -1.0124 | |
34 | L | A | 1.4367 | |
35 | Y | A | 2.2342 | |
36 | F | A | 2.5429 | |
37 | Q | A | 0.7223 | |
38 | S | A | 0.1843 | |
39 | Y | A | 0.0000 | |
40 | Q | A | -1.1567 | |
41 | G | A | -1.0442 | |
42 | N | A | -0.7062 | |
43 | S | A | 0.0000 | |
44 | D | A | -0.2154 | |
45 | C | A | 0.5033 | |
46 | Y | A | 0.3012 | |
47 | F | A | -0.1666 | |
48 | G | A | -0.7384 | |
49 | N | A | -1.6598 | |
50 | G | A | -1.4526 | |
51 | S | A | -0.8912 | |
52 | A | A | -0.5263 | |
53 | Y | A | 0.0000 | |
54 | R | A | -0.8810 | |
55 | G | A | 0.0000 | |
56 | T | A | -1.1245 | |
57 | H | A | -0.5091 | |
58 | S | A | 0.0000 | |
59 | L | A | 1.3691 | |
60 | T | A | 0.0000 | |
61 | E | A | 0.0000 | |
62 | S | A | -0.5129 | |
63 | G | A | 0.0863 | |
64 | A | A | 0.6702 | |
65 | S | A | 1.3727 | |
66 | C | A | 1.3744 | |
67 | L | A | 1.9312 | |
68 | P | A | 0.0000 | |
69 | W | A | 1.0913 | |
70 | N | A | 0.0000 | |
71 | S | A | -0.1490 | |
72 | M | A | 0.7181 | |
73 | I | A | 0.0000 | |
74 | L | A | 0.0000 | |
75 | I | A | 1.0608 | |
76 | G | A | 0.2718 | |
77 | K | A | -0.5756 | |
78 | V | A | 1.1012 | |
79 | Y | A | 0.9736 | |
80 | T | A | 0.0000 | |
81 | A | A | 0.0069 | |
82 | Q | A | -1.4165 | |
83 | N | A | -1.8232 | |
84 | P | A | -0.9959 | |
85 | S | A | -1.1104 | |
86 | A | A | -1.3536 | |
87 | Q | A | -1.4411 | |
88 | A | A | -0.6646 | |
89 | L | A | -0.7315 | |
90 | G | A | 0.0000 | |
91 | L | A | 0.0000 | |
92 | G | A | -1.8393 | |
93 | K | A | -2.2731 | |
94 | H | A | -1.5982 | |
95 | N | A | -0.5544 | |
96 | Y | A | 0.0000 | |
97 | C | A | 0.0000 | |
98 | R | A | 0.0000 | |
99 | N | A | -1.1933 | |
100 | P | A | 0.0000 | |
101 | D | A | -1.9149 | |
102 | G | A | -1.9192 | |
103 | D | A | -1.9860 | |
104 | A | A | 0.0000 | |
105 | K | A | -1.4959 | |
106 | P | A | 0.0000 | |
107 | W | A | 0.0000 | |
108 | C | A | 0.0000 | |
109 | H | A | 0.0000 | |
110 | V | A | 0.0071 | |
111 | L | A | -0.9706 | |
112 | K | A | -3.1365 | |
113 | N | A | -3.4246 | |
114 | R | A | -3.5429 | |
115 | R | A | -3.5867 | |
116 | L | A | -1.4718 | |
117 | T | A | -0.8140 | |
118 | W | A | 0.1003 | |
119 | E | A | 0.0000 | |
120 | Y | A | -0.0551 | |
121 | C | A | 0.0000 | |
122 | D | A | -0.4391 | |
123 | V | A | 0.1616 | |
124 | P | A | -0.1107 | |
125 | S | A | 0.0455 | |
126 | C | A | 0.4226 | |
127 | S | A | -0.0049 | |
128 | T | A | -0.0223 | |
129 | C | A | 0.3624 | |
130 | G | A | 0.0000 | |
131 | L | A | -0.0461 | |
132 | R | A | 0.0000 | |
133 | Q | A | -0.9913 | |
134 | Y | A | -0.8906 | |
135 | S | A | -0.9653 | |
136 | Q | A | -1.2649 | |
137 | P | A | -0.7288 | |
138 | Q | A | 0.0000 | |
139 | F | A | 0.0000 | |
140 | R | A | 0.0000 | |
141 | I | A | 0.0000 | |
142 | K | A | 0.0000 | |
143 | G | A | -0.3639 | |
144 | G | A | 0.2358 | |
145 | L | A | 1.4041 | |
146 | F | A | 1.6548 | |
147 | A | A | 0.0000 | |
148 | D | A | -1.4660 | |
149 | I | A | -0.6718 | |
150 | A | A | -0.6573 | |
151 | S | A | -0.9885 | |
152 | H | A | 0.0000 | |
153 | P | A | 0.0000 | |
154 | W | A | 0.0000 | |
155 | Q | A | -0.0672 | |
156 | A | A | 0.0000 | |
157 | A | A | 0.0000 | |
158 | I | A | 0.0000 | |
159 | F | A | 0.0000 | |
160 | A | A | 0.0000 | |
161 | K | A | -3.5319 | |
162 | H | A | -3.2742 | |
163 | R | A | -4.0541 | |
164 | R | A | -3.4518 | |
165 | S | A | -2.7272 | |
166 | P | A | -2.7347 | |
167 | G | A | 0.0000 | |
168 | E | A | -3.5791 | |
169 | R | A | -3.0835 | |
170 | F | A | -1.1477 | |
171 | L | A | -0.5677 | |
172 | C | A | 0.0000 | |
173 | G | A | 0.0000 | |
174 | G | A | 0.0000 | |
175 | I | A | 0.0000 | |
176 | L | A | 0.0000 | |
177 | I | A | 0.0000 | |
178 | S | A | -0.1797 | |
179 | S | A | -0.6891 | |
180 | C | A | 0.0000 | |
181 | W | A | -0.3553 | |
182 | I | A | 0.0000 | |
183 | L | A | 0.0000 | |
184 | S | A | 0.0000 | |
185 | A | A | 0.0000 | |
186 | A | A | 0.0000 | |
187 | H | A | -1.8230 | |
188 | C | A | 0.0000 | |
189 | F | A | 0.0000 | |
190 | Q | A | -2.0278 | |
191 | E | A | -1.9865 | |
192 | R | A | -1.3875 | |
193 | F | A | -1.1033 | |
194 | P | A | -1.2426 | |
195 | P | A | -1.5685 | |
196 | H | A | -2.2856 | |
197 | H | A | -2.3398 | |
198 | L | A | 0.0000 | |
199 | T | A | 0.0000 | |
200 | V | A | 0.0000 | |
201 | I | A | -1.1983 | |
202 | L | A | 0.0000 | |
203 | G | A | 0.0000 | |
204 | R | A | 0.0000 | |
205 | T | A | -0.9098 | |
206 | Y | A | 0.0460 | |
207 | R | A | 0.4801 | |
208 | V | A | 2.0943 | |
209 | V | A | 1.7719 | |
210 | P | A | -0.0573 | |
211 | G | A | -0.6143 | |
212 | E | A | -2.3391 | |
213 | E | A | -2.7311 | |
214 | E | A | -2.4721 | |
215 | Q | A | -2.2917 | |
216 | K | A | -2.5379 | |
217 | F | A | 0.0000 | |
218 | E | A | -2.9090 | |
219 | V | A | 0.0000 | |
220 | E | A | -2.5105 | |
221 | K | A | -1.9127 | |
222 | Y | A | -0.2430 | |
223 | I | A | 0.8060 | |
224 | V | A | 0.1649 | |
225 | H | A | -1.2360 | |
226 | K | A | -2.6492 | |
227 | E | A | -3.0465 | |
228 | F | A | -2.3697 | |
229 | D | A | -3.1844 | |
230 | D | A | -2.6284 | |
231 | D | A | -2.9770 | |
232 | T | A | -2.3164 | |
233 | Y | A | -1.6832 | |
234 | D | A | -1.8882 | |
235 | N | A | -1.4836 | |
236 | D | A | 0.0000 | |
237 | I | A | 0.0000 | |
238 | A | A | 0.0000 | |
239 | L | A | 0.0000 | |
240 | L | A | 0.0000 | |
241 | Q | A | -1.2095 | |
242 | L | A | 0.0000 | |
243 | K | A | -2.5243 | |
244 | S | A | -2.4021 | |
245 | D | A | -2.3474 | |
246 | S | A | -1.3886 | |
247 | S | A | -1.4121 | |
248 | R | A | -1.6665 | |
249 | C | A | 0.0000 | |
250 | A | A | -1.1189 | |
251 | Q | A | -1.7280 | |
252 | E | A | -1.5999 | |
253 | S | A | -0.9643 | |
254 | S | A | -0.4317 | |
255 | V | A | -0.8352 | |
256 | V | A | 0.0000 | |
257 | R | A | -0.6125 | |
258 | T | A | 0.0000 | |
259 | V | A | 0.0000 | |
260 | C | A | 0.2217 | |
261 | L | A | 0.0000 | |
262 | P | A | -0.7320 | |
263 | P | A | -1.2612 | |
264 | A | A | -1.3324 | |
265 | D | A | -1.6668 | |
266 | L | A | -0.5740 | |
267 | Q | A | -0.9841 | |
268 | L | A | -0.0701 | |
269 | P | A | -0.7774 | |
270 | D | A | -1.7642 | |
271 | W | A | 0.0000 | |
272 | T | A | -0.9107 | |
273 | E | A | -1.1793 | |
274 | C | A | 0.0000 | |
275 | E | A | 0.0000 | |
276 | L | A | 0.0000 | |
277 | S | A | 0.0000 | |
278 | G | A | 0.0000 | |
279 | Y | A | 0.0000 | |
280 | G | A | 0.0000 | |
281 | K | A | -0.5062 | |
282 | H | A | 0.0000 | |
283 | E | A | 0.3658 | |
284 | A | A | 0.7293 | |
285 | L | A | 1.3702 | |
286 | S | A | 0.9216 | |
287 | P | A | 0.7370 | |
288 | F | A | 1.6085 | |
289 | Y | A | 1.3519 | |
290 | S | A | 0.5997 | |
291 | E | A | 0.0000 | |
292 | R | A | 0.3915 | |
293 | L | A | 0.0000 | |
294 | K | A | 0.0000 | |
295 | E | A | 0.0000 | |
296 | A | A | 0.0000 | |
297 | H | A | -1.0524 | |
298 | V | A | 0.0000 | |
299 | R | A | -2.0871 | |
300 | L | A | 0.0000 | |
301 | Y | A | -0.9729 | |
302 | P | A | -0.7100 | |
303 | S | A | -0.7392 | |
304 | S | A | -1.1441 | |
305 | R | A | -2.1221 | |
306 | C | A | 0.0000 | |
307 | T | A | -1.2145 | |
308 | S | A | -1.3564 | |
309 | Q | A | -1.5492 | |
310 | H | A | -1.2564 | |
311 | L | A | 0.0000 | |
312 | L | A | -0.2863 | |
313 | N | A | -1.9221 | |
314 | R | A | -2.2628 | |
315 | T | A | -1.4701 | |
316 | V | A | -0.6781 | |
317 | T | A | -0.4784 | |
318 | D | A | -0.4257 | |
319 | N | A | -0.3543 | |
320 | M | A | 0.3842 | |
321 | L | A | 0.0000 | |
322 | C | A | 0.0000 | |
323 | A | A | 0.0000 | |
324 | G | A | -1.4293 | |
325 | D | A | 0.0000 | |
326 | T | A | -2.3348 | |
327 | R | A | -3.0427 | |
328 | S | A | -2.2983 | |
329 | G | A | -1.6654 | |
330 | G | A | -1.4668 | |
331 | P | A | -1.1869 | |
332 | Q | A | -1.7088 | |
333 | A | A | -1.3933 | |
334 | N | A | -1.8335 | |
335 | L | A | -1.3877 | |
336 | H | A | -0.7681 | |
337 | D | A | 0.0000 | |
338 | A | A | 0.0000 | |
339 | C | A | -0.7276 | |
340 | Q | A | -1.0796 | |
341 | G | A | -0.6404 | |
342 | D | A | 0.0000 | |
343 | S | A | -0.4577 | |
344 | G | A | 0.0000 | |
345 | G | A | 0.0000 | |
346 | P | A | 0.0000 | |
347 | L | A | 0.0000 | |
348 | V | A | 0.0000 | |
349 | C | A | 0.1359 | |
350 | L | A | 0.1221 | |
351 | N | A | -1.4608 | |
352 | D | A | -2.0507 | |
353 | G | A | -1.2167 | |
354 | R | A | -1.1244 | |
355 | M | A | 0.0000 | |
356 | T | A | 0.0512 | |
357 | L | A | 0.0000 | |
358 | V | A | 0.0000 | |
359 | G | A | 0.0000 | |
360 | I | A | 0.0000 | |
361 | I | A | 0.0000 | |
362 | S | A | 0.0000 | |
363 | W | A | -0.2813 | |
364 | G | A | -0.6110 | |
365 | L | A | -0.0285 | |
366 | G | A | -0.3887 | |
367 | C | A | -0.3641 | |
368 | G | A | -1.2492 | |
369 | Q | A | -2.2644 | |
370 | K | A | -3.0572 | |
371 | D | A | -2.3379 | |
372 | V | A | 0.0000 | |
373 | P | A | 0.0000 | |
374 | G | A | 0.0000 | |
375 | V | A | 0.0000 | |
376 | Y | A | 0.0000 | |
377 | T | A | 0.0000 | |
378 | K | A | -0.3523 | |
379 | V | A | 0.0000 | |
380 | T | A | -0.8859 | |
381 | N | A | -1.1827 | |
382 | Y | A | 0.0000 | |
383 | L | A | 0.0000 | |
384 | D | A | -1.9498 | |
385 | W | A | -0.8897 | |
386 | I | A | 0.0000 | |
387 | R | A | -3.0384 | |
388 | D | A | -3.0978 | |
389 | N | A | -1.9654 | |
390 | M | A | -1.6892 | |
391 | R | A | -2.7479 | |
392 | P | A | -1.6679 |
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, -0.6348 in this case) is selected and presented in A3D results.