Chain sequence(s) |
A: ESPKEVLSRVQDAGLTLTNPNDLYWMVDFLKEKYYDNGDYYYPIKTVCDGESIDVKFYCPFEPSLSPHYLELYGSRDERASIYETTMKKYNRINSSEKTTSAICTPYSSYGDTQIVAYFYSMMYYINDQTAHLKLPESEIESSELIDILNDDDILIYLNEFMSIFEPEDAQDLERIWDFLDFYQPYFSKVDGKIVLDEKYLVRTPSQMMPLIKTICEYVSEQFAPSKKNITQVIWEVVRRYIKGVKDEIHHIRGDKSFTLSLQEYDDFRDKVTASPMAHAVVSDLTHERFSYEAYTNPAFMELENRCSEIITYFNDVCTSDRERLDEDPFNSVFILMDLDPSLNFAKSCDVVVEHAYNKMQAFLKLKEEILESASDEEERLALARMIKTREDSLIGYVLHEVCCVEDGYARDHKPLMKAFLEEEITKSSLAEKVKFNPV
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 5 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | NA268A,SA247A |
Energy difference between WT (input) and mutated protein (by FoldX) | 3.59635 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
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 (00:10:33) [INFO] FoldX: Starting FoldX energy minimalization (00:10:53) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:15:49) [INFO] Main: Simulation completed successfully. (00:15:53) |
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 | |
46 | E | A | -1.8327 | |
47 | S | A | -0.4158 | |
48 | P | A | -0.3405 | |
49 | K | A | -1.9272 | |
50 | E | A | -2.1097 | |
51 | V | A | 0.0000 | |
52 | L | A | 0.2080 | |
53 | S | A | -0.2293 | |
54 | R | A | -0.3782 | |
55 | V | A | 0.0000 | |
56 | Q | A | -1.5259 | |
57 | D | A | -1.9981 | |
58 | A | A | -0.2780 | |
59 | G | A | -0.0387 | |
60 | L | A | 0.0000 | |
61 | T | A | -0.0156 | |
62 | L | A | 0.0000 | |
63 | T | A | -0.1294 | |
64 | N | A | -0.4371 | |
65 | P | A | -0.1776 | |
66 | N | A | -0.3819 | |
67 | D | A | 0.0000 | |
68 | L | A | 0.0000 | |
69 | Y | A | 0.3223 | |
70 | W | A | 0.0484 | |
71 | M | A | 0.0000 | |
72 | V | A | 0.0000 | |
73 | D | A | -1.6817 | |
74 | F | A | 0.0000 | |
75 | L | A | 0.0000 | |
76 | K | A | -0.7948 | |
77 | E | A | -2.1527 | |
78 | K | A | -1.3569 | |
79 | Y | A | 0.0000 | |
80 | Y | A | -0.0816 | |
81 | D | A | -2.1440 | |
82 | N | A | -1.6843 | |
83 | G | A | -0.8288 | |
84 | D | A | -0.7149 | |
85 | Y | A | 0.3305 | |
86 | Y | A | 0.6920 | |
87 | Y | A | 0.0000 | |
88 | P | A | 0.0000 | |
89 | I | A | 0.0000 | |
90 | K | A | -0.5371 | |
91 | T | A | 0.1007 | |
92 | V | A | 0.8984 | |
93 | C | A | 0.0000 | |
94 | D | A | -1.5615 | |
95 | G | A | -0.8066 | |
96 | E | A | -0.5004 | |
97 | S | A | -0.1765 | |
98 | I | A | 0.0000 | |
99 | D | A | -1.7893 | |
100 | V | A | -0.3423 | |
101 | K | A | -1.1790 | |
102 | F | A | 0.0000 | |
103 | Y | A | 0.2143 | |
104 | C | A | 0.0000 | |
105 | P | A | -0.0051 | |
106 | F | A | -0.0408 | |
107 | E | A | -1.2397 | |
108 | P | A | 0.0000 | |
109 | S | A | -0.0040 | |
110 | L | A | 0.1568 | |
111 | S | A | 0.0000 | |
112 | P | A | -0.2923 | |
113 | H | A | -0.2508 | |
114 | Y | A | 0.0000 | |
115 | L | A | 0.2566 | |
116 | E | A | -1.7622 | |
117 | L | A | 0.0000 | |
118 | Y | A | 0.0000 | |
119 | G | A | -0.6709 | |
120 | S | A | -0.1592 | |
121 | R | A | -0.5191 | |
122 | D | A | -2.1618 | |
123 | E | A | -2.1528 | |
124 | R | A | 0.0000 | |
125 | A | A | 0.0000 | |
126 | S | A | -0.1289 | |
127 | I | A | 0.4271 | |
128 | Y | A | 0.0000 | |
129 | E | A | -1.8237 | |
130 | T | A | -0.3732 | |
131 | T | A | -0.0133 | |
132 | M | A | 0.0073 | |
133 | K | A | -1.7560 | |
134 | K | A | -0.9472 | |
135 | Y | A | 0.0000 | |
136 | N | A | -0.2082 | |
137 | R | A | -0.4943 | |
138 | I | A | 0.0000 | |
139 | N | A | 0.0000 | |
140 | S | A | 0.0000 | |
141 | E | A | 0.0000 | |
142 | K | A | 0.0000 | |
143 | T | A | 0.0000 | |
144 | S | A | 0.0000 | |
145 | A | A | 0.0000 | |
146 | I | A | 0.0000 | |
147 | C | A | 0.0000 | |
148 | T | A | -0.0078 | |
149 | P | A | 0.0000 | |
150 | Y | A | 1.3100 | |
151 | S | A | 0.1744 | |
152 | S | A | -0.1276 | |
153 | Y | A | 0.3697 | |
154 | G | A | -0.0810 | |
155 | D | A | -0.2509 | |
156 | T | A | 0.0000 | |
157 | Q | A | -0.2083 | |
158 | I | A | 0.0000 | |
159 | V | A | 0.0000 | |
160 | A | A | 0.0000 | |
161 | Y | A | 0.0000 | |
162 | F | A | 0.0000 | |
163 | Y | A | 0.0000 | |
164 | S | A | 0.0000 | |
165 | M | A | 0.0000 | |
166 | M | A | 0.1618 | |
167 | Y | A | 0.1199 | |
168 | Y | A | 0.0000 | |
169 | I | A | 0.0000 | |
170 | N | A | -0.5680 | |
171 | D | A | -0.5213 | |
172 | Q | A | -0.2851 | |
173 | T | A | 0.0000 | |
174 | A | A | -0.0540 | |
175 | H | A | -0.1256 | |
176 | L | A | 0.0000 | |
177 | K | A | -0.5613 | |
178 | L | A | 0.3391 | |
179 | P | A | -0.4438 | |
180 | E | A | -1.8955 | |
181 | S | A | -0.8808 | |
182 | E | A | -1.7799 | |
183 | I | A | -0.1875 | |
184 | E | A | -1.4934 | |
185 | S | A | -0.8275 | |
186 | E | A | -1.9422 | |
187 | L | A | 0.2557 | |
188 | I | A | 0.0990 | |
189 | D | A | -1.8091 | |
190 | I | A | 0.2399 | |
191 | L | A | 0.0000 | |
192 | N | A | -0.4500 | |
193 | D | A | -0.7632 | |
194 | D | A | 0.0000 | |
195 | I | A | 0.0000 | |
196 | L | A | 0.0000 | |
197 | I | A | 0.0000 | |
198 | Y | A | 0.0000 | |
199 | L | A | 0.0000 | |
200 | N | A | -0.1638 | |
201 | E | A | -0.2283 | |
202 | F | A | 0.0000 | |
203 | M | A | 0.0000 | |
204 | S | A | -0.0626 | |
205 | I | A | 0.2917 | |
206 | F | A | 0.0000 | |
207 | E | A | -1.8267 | |
208 | P | A | -0.7135 | |
209 | E | A | -1.9438 | |
210 | D | A | -0.9624 | |
211 | A | A | -0.2808 | |
212 | Q | A | -1.2214 | |
213 | D | A | -0.4089 | |
214 | L | A | -0.1676 | |
215 | E | A | -1.5471 | |
216 | R | A | -0.6039 | |
217 | I | A | 0.0000 | |
218 | W | A | -0.3030 | |
219 | D | A | -1.6802 | |
220 | F | A | 0.0777 | |
221 | L | A | 0.0000 | |
222 | D | A | -1.5711 | |
223 | F | A | 0.8610 | |
224 | Y | A | 0.0000 | |
225 | Q | A | -0.3286 | |
226 | P | A | -0.2069 | |
227 | Y | A | 0.4930 | |
228 | F | A | 0.0000 | |
229 | S | A | -0.3749 | |
230 | K | A | -0.9073 | |
231 | V | A | 0.6911 | |
232 | D | A | -1.6296 | |
233 | G | A | -0.7347 | |
234 | K | A | -0.4088 | |
235 | I | A | 0.0000 | |
236 | V | A | 0.4998 | |
237 | L | A | 0.0000 | |
238 | D | A | -2.1063 | |
239 | E | A | -2.4578 | |
240 | K | A | -1.9796 | |
241 | Y | A | 0.1360 | |
242 | L | A | 1.2157 | |
243 | V | A | 1.8233 | |
244 | R | A | -0.2607 | |
245 | T | A | -0.1773 | |
246 | P | A | 0.0000 | |
247 | A | A | 0.0249 | mutated: SA247A |
248 | Q | A | 0.0000 | |
249 | M | A | 0.0680 | |
250 | P | A | -0.1924 | |
251 | L | A | 0.0000 | |
252 | I | A | 0.0000 | |
253 | K | A | -0.8625 | |
254 | T | A | -0.1767 | |
255 | I | A | 0.0000 | |
256 | C | A | 0.0000 | |
257 | E | A | -1.7923 | |
258 | Y | A | -0.1503 | |
259 | V | A | 0.0000 | |
260 | S | A | -0.5790 | |
261 | E | A | -2.0001 | |
262 | Q | A | -1.2555 | |
263 | F | A | 0.0000 | |
264 | A | A | -0.0311 | |
265 | P | A | -0.2903 | |
266 | S | A | -0.3315 | |
267 | K | A | -0.4302 | |
268 | A | A | -0.0625 | mutated: NA268A |
269 | I | A | 0.0000 | |
270 | T | A | 0.0000 | |
271 | Q | A | 0.0000 | |
272 | V | A | 0.0000 | |
273 | I | A | 0.0000 | |
274 | W | A | 0.1290 | |
275 | E | A | 0.0000 | |
276 | V | A | 0.0000 | |
277 | V | A | 0.0000 | |
278 | R | A | 0.0000 | |
279 | Y | A | 0.0000 | |
280 | I | A | 0.0000 | |
281 | K | A | -0.2093 | |
282 | G | A | 0.0000 | |
283 | V | A | 0.0000 | |
284 | K | A | -0.5891 | |
285 | D | A | -0.8670 | |
286 | E | A | 0.0000 | |
287 | I | A | 0.0000 | |
288 | H | A | -0.9498 | |
289 | I | A | 0.0034 | |
290 | R | A | -0.2481 | |
291 | G | A | -0.8324 | |
292 | D | A | -2.0395 | |
293 | K | A | -1.2750 | |
294 | S | A | -0.2985 | |
295 | F | A | 0.3876 | |
296 | T | A | 0.0567 | |
297 | L | A | 0.2216 | |
298 | S | A | -0.0131 | |
299 | L | A | -0.0161 | |
300 | Q | A | -1.3993 | |
301 | E | A | -1.6570 | |
302 | Y | A | 0.0000 | |
303 | D | A | 0.0000 | |
304 | D | A | -1.2862 | |
305 | F | A | 0.0000 | |
306 | R | A | -0.3322 | |
307 | D | A | 0.0000 | |
308 | K | A | -0.6155 | |
309 | V | A | 0.0000 | |
310 | T | A | 0.0000 | |
311 | A | A | 0.0000 | |
312 | S | A | 0.0000 | |
313 | P | A | 0.0000 | |
314 | M | A | 0.0000 | |
315 | A | A | 0.0000 | |
316 | H | A | 0.0000 | |
317 | A | A | 0.0000 | |
318 | V | A | 0.0000 | |
319 | S | A | 0.0000 | |
320 | D | A | 0.0000 | |
321 | L | A | 0.0000 | |
322 | T | A | -0.0446 | |
323 | H | A | -0.4872 | |
324 | E | A | -2.1408 | |
325 | R | A | -1.8747 | |
326 | F | A | 0.0345 | |
327 | S | A | 0.0000 | |
328 | Y | A | -0.1068 | |
329 | E | A | -1.7789 | |
330 | A | A | 0.0000 | |
331 | Y | A | 0.0000 | |
332 | T | A | -0.1339 | |
333 | N | A | -0.4034 | |
334 | P | A | -0.3160 | |
335 | A | A | -0.0396 | |
336 | F | A | 0.0000 | |
337 | M | A | -0.0692 | |
338 | E | A | -1.1873 | |
339 | L | A | 0.0000 | |
340 | E | A | 0.0000 | |
341 | N | A | -0.3805 | |
342 | R | A | -0.3186 | |
343 | C | A | 0.0000 | |
344 | S | A | 0.0000 | |
345 | E | A | 0.0000 | |
346 | I | A | 0.0000 | |
347 | I | A | 0.0000 | |
348 | T | A | 0.0000 | |
349 | Y | A | 0.0000 | |
350 | F | A | 0.0000 | |
351 | N | A | -0.3337 | |
352 | D | A | 0.0000 | |
353 | V | A | 0.0000 | |
354 | C | A | 0.0000 | |
355 | T | A | 0.0000 | |
356 | S | A | 0.0000 | |
357 | D | A | -0.5418 | |
358 | R | A | -0.6463 | |
359 | E | A | -0.4370 | |
360 | R | A | -0.3557 | |
361 | L | A | 1.3879 | |
362 | D | A | -0.5315 | |
363 | E | A | -1.9808 | |
364 | D | A | -0.5418 | |
365 | P | A | -0.1330 | |
366 | F | A | 0.0000 | |
367 | N | A | 0.0000 | |
368 | S | A | 0.0000 | |
369 | V | A | 0.0000 | |
370 | F | A | 0.2727 | |
371 | I | A | 0.0000 | |
372 | L | A | 0.1901 | |
373 | M | A | -0.0883 | |
374 | D | A | -1.4703 | |
375 | L | A | 1.0694 | |
376 | D | A | -0.5828 | |
377 | P | A | -0.4429 | |
378 | S | A | -0.2263 | |
379 | L | A | -0.0670 | |
380 | N | A | -1.0463 | |
381 | F | A | 0.0332 | |
382 | A | A | -0.2251 | |
383 | K | A | -1.5526 | |
384 | S | A | 0.0000 | |
385 | C | A | 0.0000 | |
386 | D | A | -1.4167 | |
387 | V | A | -0.0225 | |
388 | V | A | 0.0000 | |
389 | V | A | -0.0681 | |
390 | E | A | -1.4750 | |
391 | H | A | -0.5422 | |
392 | A | A | 0.0000 | |
393 | Y | A | 0.0522 | |
394 | N | A | -1.0272 | |
395 | K | A | -0.3818 | |
396 | M | A | 0.0000 | |
397 | Q | A | -0.4587 | |
398 | A | A | -0.0879 | |
399 | F | A | 0.0000 | |
400 | L | A | -0.0366 | |
401 | K | A | -1.6077 | |
402 | L | A | -0.1611 | |
403 | K | A | -0.5542 | |
404 | E | A | -2.2057 | |
405 | E | A | -2.1529 | |
406 | I | A | 0.0000 | |
407 | L | A | -0.0004 | |
408 | E | A | -1.7983 | |
409 | S | A | -0.5423 | |
410 | A | A | -0.0680 | |
411 | S | A | -0.5349 | |
412 | D | A | -2.1472 | |
413 | E | A | -2.5655 | |
414 | E | A | -2.2453 | |
415 | E | A | -0.9697 | |
416 | R | A | -1.0258 | |
417 | L | A | 0.1690 | |
418 | A | A | 0.0000 | |
419 | L | A | 0.0000 | |
420 | A | A | -0.0795 | |
421 | R | A | -0.4964 | |
422 | M | A | 0.0000 | |
423 | I | A | 0.0000 | |
424 | K | A | -1.5640 | |
425 | T | A | 0.0000 | |
426 | R | A | 0.0000 | |
427 | E | A | 0.0000 | |
428 | D | A | -0.3274 | |
429 | S | A | 0.0000 | |
430 | L | A | 0.0000 | |
431 | I | A | 0.0000 | |
432 | G | A | 0.0000 | |
433 | Y | A | 0.1315 | |
434 | V | A | 0.0000 | |
435 | L | A | 0.0000 | |
436 | H | A | 0.0000 | |
437 | E | A | 0.0000 | |
438 | V | A | 0.0000 | |
439 | C | A | 0.0000 | |
440 | C | A | 0.0000 | |
441 | V | A | 0.0000 | |
442 | E | A | -0.6882 | |
443 | D | A | -1.8670 | |
444 | G | A | -0.3541 | |
445 | Y | A | 0.1217 | |
446 | A | A | 0.0000 | |
447 | R | A | -0.3172 | |
448 | D | A | -0.2872 | |
449 | H | A | -0.2822 | |
450 | K | A | 0.0000 | |
451 | P | A | -0.1835 | |
452 | L | A | 0.6398 | |
453 | M | A | 0.0000 | |
454 | K | A | -0.5485 | |
455 | A | A | -0.0112 | |
456 | F | A | 0.2668 | |
457 | L | A | 0.0000 | |
458 | E | A | -0.6460 | |
459 | E | A | -1.9494 | |
460 | E | A | -0.7278 | |
461 | I | A | 0.0000 | |
462 | T | A | -0.3286 | |
463 | K | A | -1.7119 | |
464 | S | A | -0.3607 | |
465 | L | A | 0.0000 | |
466 | A | A | -0.2315 | |
467 | E | A | -1.5825 | |
468 | K | A | -0.7518 | |
469 | V | A | -0.0475 | |
470 | K | A | -1.4081 | |
471 | F | A | 1.4635 | |
472 | N | A | -0.4275 | |
473 | P | A | -0.1789 | |
474 | V | A | 1.6334 |