Chain sequence(s) |
A: REVESVDLPHCHLIKGIEAGSEDIDILPNGLAFFSVGLKFPGLHSFAPDKPGGILMMDLKEEKPRARELRISRGFDLASFNPHGISTFIDNDDTVYLFVVNHPEFKNTVEIFKFEEAENSLLHLKTVKHELLPSVNDITAVGPAHFYATNDHYFSDPFLKYEETYLNLHWANVVYYSPNEVKVVAEGFDSANGINISPDDKYIYVADILAHEIHVLEKHTNMNLTQLKVLELDTLVDNLSIDPSSGDIWVGCHPNGQKLDVYDPNNPPSSEVLRIQNILSEKPTVTTVYANNGSVLQGSSVASVYDGKLLIGTLYHRALYCEL
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | FD189A |
Energy difference between WT (input) and mutated protein (by FoldX) | 0.808411 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 (00:00:56) [INFO] FoldX: Starting FoldX energy minimalization (00:01:03) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:01:59) [INFO] Main: Simulation completed successfully. (00:02:00) |
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 | R | A | -3.0956 | |
33 | E | A | -3.3137 | |
34 | V | A | -2.3163 | |
35 | E | A | -2.5998 | |
36 | S | A | -1.8216 | |
37 | V | A | -1.0200 | |
38 | D | A | -1.8352 | |
39 | L | A | -0.6222 | |
40 | P | A | -0.9150 | |
41 | H | A | -1.3183 | |
42 | C | A | -0.7803 | |
43 | H | A | -1.1149 | |
44 | L | A | -0.7536 | |
45 | I | A | 0.0000 | |
46 | K | A | -2.9324 | |
47 | G | A | -2.6322 | |
48 | I | A | 0.0000 | |
49 | E | A | -2.2039 | |
50 | A | A | -1.1718 | |
51 | G | A | 0.0000 | |
52 | S | A | 0.0000 | |
53 | E | A | 0.0000 | |
54 | D | A | 0.0000 | |
55 | I | A | 0.0000 | |
56 | D | A | -0.1953 | |
57 | I | A | -0.0550 | |
58 | L | A | 0.0000 | |
59 | P | A | -0.6050 | |
60 | N | A | -1.3627 | |
61 | G | A | 0.0000 | |
62 | L | A | -0.7313 | |
63 | A | A | 0.0000 | |
64 | F | A | 0.0000 | |
65 | F | A | 0.0000 | |
66 | S | A | 0.0000 | |
67 | V | A | -0.6083 | |
68 | G | A | -0.8415 | |
69 | L | A | 0.0000 | |
70 | K | A | -1.1655 | |
71 | F | A | -0.2363 | |
72 | P | A | -0.5636 | |
73 | G | A | -0.5131 | |
74 | L | A | -0.4602 | |
75 | H | A | -0.3621 | |
76 | S | A | -0.2907 | |
77 | F | A | -0.0151 | |
78 | A | A | -1.2061 | |
79 | P | A | -1.6415 | |
80 | D | A | -2.6451 | |
81 | K | A | -2.7681 | |
82 | P | A | -1.4499 | |
83 | G | A | -0.8063 | |
84 | G | A | -0.6947 | |
85 | I | A | 0.0000 | |
86 | L | A | 0.0000 | |
87 | M | A | 0.0000 | |
88 | M | A | 0.0000 | |
89 | D | A | -2.3488 | |
90 | L | A | 0.0000 | |
91 | K | A | -3.5881 | |
92 | E | A | -4.2315 | |
93 | E | A | -4.0368 | |
94 | K | A | -3.7972 | |
95 | P | A | -3.4923 | |
96 | R | A | -3.6855 | |
97 | A | A | -2.6020 | |
98 | R | A | -3.5582 | |
99 | E | A | -3.2964 | |
100 | L | A | 0.0000 | |
101 | R | A | -2.9462 | |
102 | I | A | -1.3336 | |
103 | S | A | -1.2194 | |
104 | R | A | -2.2551 | |
105 | G | A | -1.5534 | |
106 | F | A | -0.9500 | |
107 | D | A | -1.4801 | |
108 | L | A | 0.0155 | |
109 | A | A | -0.4408 | |
110 | S | A | -0.7585 | |
111 | F | A | 0.0000 | |
112 | N | A | 0.0000 | |
113 | P | A | 0.0000 | |
114 | H | A | 0.0000 | |
115 | G | A | 0.0000 | |
116 | I | A | 0.0000 | |
117 | S | A | 0.0000 | |
118 | T | A | 0.2820 | |
119 | F | A | 0.3597 | |
120 | I | A | -0.1609 | |
121 | D | A | -1.5480 | |
122 | N | A | -2.6184 | |
123 | D | A | -3.2141 | |
124 | D | A | -2.8332 | |
125 | T | A | -1.7400 | |
126 | V | A | 0.0000 | |
127 | Y | A | -0.0507 | |
128 | L | A | 0.0000 | |
129 | F | A | 0.0000 | |
130 | V | A | 0.0000 | |
131 | V | A | 0.0000 | |
132 | N | A | 0.0000 | |
133 | H | A | 0.0000 | |
134 | P | A | -1.3645 | |
135 | E | A | -2.0124 | |
136 | F | A | -1.0935 | |
137 | K | A | -2.2704 | |
138 | N | A | -1.6930 | |
139 | T | A | 0.0000 | |
140 | V | A | 0.0000 | |
141 | E | A | 0.0000 | |
142 | I | A | 0.0000 | |
143 | F | A | 0.0000 | |
144 | K | A | -0.7952 | |
145 | F | A | 0.0000 | |
146 | E | A | -2.8056 | |
147 | E | A | -2.9988 | |
148 | A | A | -2.0534 | |
149 | E | A | -3.0151 | |
150 | N | A | -2.9396 | |
151 | S | A | -2.4031 | |
152 | L | A | 0.0000 | |
153 | L | A | -0.2991 | |
154 | H | A | -0.2213 | |
155 | L | A | 0.2755 | |
156 | K | A | -0.7324 | |
157 | T | A | -0.7033 | |
158 | V | A | 0.0000 | |
159 | K | A | -2.5302 | |
160 | H | A | -1.9459 | |
161 | E | A | -2.2026 | |
162 | L | A | -0.6504 | |
163 | L | A | 0.0000 | |
164 | P | A | -0.8953 | |
165 | S | A | 0.0000 | |
166 | V | A | 0.0000 | |
167 | N | A | 0.0000 | |
168 | D | A | 0.0000 | |
169 | I | A | 0.0000 | |
170 | T | A | 0.0000 | |
171 | A | A | 0.0000 | |
172 | V | A | 0.1715 | |
173 | G | A | 0.0000 | |
174 | P | A | -0.1363 | |
175 | A | A | -0.1358 | |
176 | H | A | -0.4254 | |
177 | F | A | 0.0000 | |
178 | Y | A | 0.0000 | |
179 | A | A | 0.0000 | |
180 | T | A | 0.0000 | |
181 | N | A | 0.0000 | |
182 | D | A | 0.0000 | |
183 | H | A | 0.6236 | |
184 | Y | A | 1.2678 | |
185 | F | A | 0.4477 | |
186 | S | A | -0.7380 | |
187 | D | A | -1.4307 | |
188 | P | A | -1.1125 | |
189 | D | A | -1.7081 | mutated: FD189A |
190 | L | A | -0.2325 | |
191 | K | A | 0.0000 | |
192 | Y | A | 0.6686 | |
193 | E | A | 0.2164 | |
194 | E | A | 0.0000 | |
195 | T | A | 0.8819 | |
196 | Y | A | 1.6878 | |
197 | L | A | 1.3032 | |
198 | N | A | -0.1180 | |
199 | L | A | 0.2166 | |
200 | H | A | -0.5816 | |
201 | W | A | 0.1421 | |
202 | A | A | 0.0000 | |
203 | N | A | -0.6732 | |
204 | V | A | 0.0000 | |
205 | V | A | 0.0000 | |
206 | Y | A | 0.0000 | |
207 | Y | A | 0.0000 | |
208 | S | A | 0.0000 | |
209 | P | A | -1.2367 | |
210 | N | A | -2.0609 | |
211 | E | A | -2.1214 | |
212 | V | A | -1.0099 | |
213 | K | A | -0.4318 | |
214 | V | A | 0.1447 | |
215 | V | A | 0.0000 | |
216 | A | A | -1.1537 | |
217 | E | A | -1.9208 | |
218 | G | A | -1.3361 | |
219 | F | A | 0.0000 | |
220 | D | A | -0.7523 | |
221 | S | A | 0.0000 | |
222 | A | A | 0.0000 | |
223 | N | A | 0.0000 | |
224 | G | A | 0.0000 | |
225 | I | A | 0.0000 | |
226 | N | A | -0.2645 | |
227 | I | A | -0.8896 | |
228 | S | A | -1.5719 | |
229 | P | A | -1.8852 | |
230 | D | A | -3.0064 | |
231 | D | A | -3.0722 | |
232 | K | A | -2.7679 | |
233 | Y | A | -1.4106 | |
234 | I | A | 0.0000 | |
235 | Y | A | 0.0000 | |
236 | V | A | 0.0000 | |
237 | A | A | 0.0000 | |
238 | D | A | 0.0000 | |
239 | I | A | 0.3143 | |
240 | L | A | 0.2491 | |
241 | A | A | -0.4492 | |
242 | H | A | -0.9519 | |
243 | E | A | -1.0244 | |
244 | I | A | 0.0000 | |
245 | H | A | 0.0000 | |
246 | V | A | 0.0000 | |
247 | L | A | 0.0000 | |
248 | E | A | -1.5288 | |
249 | K | A | -1.7880 | |
250 | H | A | -1.5508 | |
251 | T | A | -1.2032 | |
252 | N | A | -1.6326 | |
253 | M | A | -1.1231 | |
254 | N | A | -1.2016 | |
255 | L | A | 0.0000 | |
256 | T | A | -1.0515 | |
257 | Q | A | -1.3965 | |
258 | L | A | -0.6197 | |
259 | K | A | -1.6430 | |
260 | V | A | -0.5587 | |
261 | L | A | -0.8773 | |
262 | E | A | -2.2335 | |
263 | L | A | -1.4836 | |
264 | D | A | -2.3789 | |
265 | T | A | 0.0000 | |
266 | L | A | -0.1421 | |
267 | V | A | 0.0000 | |
268 | D | A | 0.0000 | |
269 | N | A | 0.0000 | |
270 | L | A | 0.0000 | |
271 | S | A | -0.0955 | |
272 | I | A | -0.1126 | |
273 | D | A | -0.3223 | |
274 | P | A | -0.7587 | |
275 | S | A | -0.5106 | |
276 | S | A | -0.7146 | |
277 | G | A | -0.9401 | |
278 | D | A | 0.0000 | |
279 | I | A | 0.0000 | |
280 | W | A | 0.0000 | |
281 | V | A | 0.0000 | |
282 | G | A | 0.0000 | |
283 | C | A | 0.0000 | |
284 | H | A | 0.0000 | |
285 | P | A | 0.0000 | |
286 | N | A | -1.7555 | |
287 | G | A | -1.0833 | |
288 | Q | A | -1.6590 | |
289 | K | A | -1.2554 | |
290 | L | A | 0.0000 | |
291 | D | A | -1.5765 | |
292 | V | A | 0.1145 | |
293 | Y | A | -0.7008 | |
294 | D | A | -1.6668 | |
295 | P | A | -1.4573 | |
296 | N | A | -2.3014 | |
297 | N | A | -2.3463 | |
298 | P | A | -1.3668 | |
299 | P | A | 0.0000 | |
300 | S | A | 0.0000 | |
301 | S | A | 0.0000 | |
302 | E | A | -0.4898 | |
303 | V | A | 0.0000 | |
304 | L | A | 0.0000 | |
305 | R | A | -0.4306 | |
306 | I | A | 0.0000 | |
307 | Q | A | -1.0556 | |
308 | N | A | -1.6113 | |
309 | I | A | 0.0000 | |
310 | L | A | -0.1052 | |
311 | S | A | -1.6086 | |
312 | E | A | -2.8183 | |
313 | K | A | -2.6030 | |
314 | P | A | -1.4347 | |
315 | T | A | -0.8644 | |
316 | V | A | 0.1235 | |
317 | T | A | 0.1039 | |
318 | T | A | 0.1002 | |
319 | V | A | 0.1036 | |
320 | Y | A | 0.0000 | |
321 | A | A | 0.0000 | |
322 | N | A | -1.4398 | |
323 | N | A | -2.0866 | |
324 | G | A | 0.0000 | |
325 | S | A | -0.5370 | |
326 | V | A | 0.2600 | |
327 | L | A | 0.0000 | |
328 | Q | A | 0.0000 | |
329 | G | A | 0.0000 | |
330 | S | A | 0.0000 | |
331 | S | A | 0.0000 | |
332 | V | A | 0.0000 | |
333 | A | A | 0.0000 | |
334 | S | A | 0.0000 | |
335 | V | A | -0.0583 | |
336 | Y | A | -1.0346 | |
337 | D | A | -1.9396 | |
338 | G | A | -0.8547 | |
339 | K | A | -0.5886 | |
340 | L | A | 0.0000 | |
341 | L | A | 0.0000 | |
342 | I | A | 0.0000 | |
343 | G | A | 0.0000 | |
344 | T | A | 0.0000 | |
345 | L | A | 0.0000 | |
346 | Y | A | 0.0000 | |
347 | H | A | -0.6576 | |
348 | R | A | -1.3632 | |
349 | A | A | 0.0000 | |
350 | L | A | 0.0000 | |
351 | Y | A | -0.4924 | |
352 | C | A | 0.0000 | |
353 | E | A | -0.4725 | |
354 | L | A | 0.8236 |