Chain sequence(s) |
A: MSAACWEEPWGLPGGFAKRVLVTGGAGFIASHMIVSLVEDYPNYMIINLDKLDYCASLKNLETISNKQNYKFIQGDICDSHFVKLLFETEKIDIVLHFAAQTHVDLSFVRAFEFTYVNVYGTHVLVSAAHEARVEKFIYVSTDEVYGGSLDKEFDESSPKQPTNPYASSKAAAECFVQSYWEQYKFPVVITRSSNVYGPHQYPEKVIPKFISLLQHNRKCCIHGSGLQTRNFLYATDVVEAFLTVLKKGKPGEIYNIGTNFEMSVVQLAKELIQLIKETNSESEMENWVDYVNDRPTNDMRYPMKSEKIHGLGWRPKVPWKEGIKKTIEWYRENFHNWKNVEKALEPFPV
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | LA12A |
Energy difference between WT (input) and mutated protein (by FoldX) | 0.55793 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 (00:02:32) [INFO] FoldX: Starting FoldX energy minimalization (00:02:37) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:13) [INFO] Main: Simulation completed successfully. (00:05:15) |
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
1 | M | A | 0.9745 | |
2 | S | A | 0.4409 | |
3 | A | A | 0.5897 | |
4 | A | A | 0.5740 | |
5 | C | A | 0.6381 | |
6 | W | A | 0.2442 | |
7 | E | A | -1.7312 | |
8 | E | A | -1.6577 | |
9 | P | A | -0.6459 | |
10 | W | A | 0.5568 | |
11 | G | A | -0.2707 | |
12 | A | A | -0.2032 | mutated: LA12A |
13 | P | A | -0.4956 | |
14 | G | A | -0.9635 | |
15 | G | A | -0.5507 | |
16 | F | A | -0.2963 | |
17 | A | A | -0.5896 | |
18 | K | A | -1.0691 | |
19 | R | A | -0.9860 | |
20 | V | A | 0.0000 | |
21 | L | A | 0.0000 | |
22 | V | A | 0.0000 | |
23 | T | A | 0.0000 | |
24 | G | A | -0.4033 | |
25 | G | A | 0.0000 | |
26 | A | A | 0.0000 | |
27 | G | A | 0.2694 | |
28 | F | A | 0.3458 | |
29 | I | A | 0.3235 | |
30 | A | A | 0.0000 | |
31 | S | A | 0.0000 | |
32 | H | A | -0.0005 | |
33 | M | A | 0.0000 | |
34 | I | A | 0.0000 | |
35 | V | A | -0.7514 | |
36 | S | A | -1.2401 | |
37 | L | A | 0.0000 | |
38 | V | A | 0.0000 | |
39 | E | A | -2.8692 | |
40 | D | A | -2.7738 | |
41 | Y | A | -1.6539 | |
42 | P | A | -1.8741 | |
43 | N | A | -1.8102 | |
44 | Y | A | -0.9942 | |
45 | M | A | -0.6771 | |
46 | I | A | 0.0000 | |
47 | I | A | 0.0000 | |
48 | N | A | 0.0000 | |
49 | L | A | 0.0000 | |
50 | D | A | -1.4640 | |
51 | K | A | -2.5677 | |
52 | L | A | -1.2911 | |
53 | D | A | -1.8980 | |
54 | Y | A | -0.2217 | |
55 | C | A | -0.0675 | |
56 | A | A | 0.0899 | |
57 | S | A | 0.0000 | |
58 | L | A | -0.6811 | |
59 | K | A | -2.1408 | |
60 | N | A | -1.3594 | |
61 | L | A | 0.0000 | |
62 | E | A | -2.6909 | |
63 | T | A | -1.6386 | |
64 | I | A | 0.0000 | |
65 | S | A | -2.0107 | |
66 | N | A | -2.4941 | |
67 | K | A | -2.6883 | |
68 | Q | A | -2.2480 | |
69 | N | A | 0.0000 | |
70 | Y | A | -1.1431 | |
71 | K | A | -0.7177 | |
72 | F | A | 0.1362 | |
73 | I | A | -0.4751 | |
74 | Q | A | -1.7580 | |
75 | G | A | -1.4949 | |
76 | D | A | -1.4990 | |
77 | I | A | 0.0000 | |
78 | C | A | 0.0000 | |
79 | D | A | -1.6900 | |
80 | S | A | -1.2654 | |
81 | H | A | -1.3772 | |
82 | F | A | -0.8432 | |
83 | V | A | 0.0000 | |
84 | K | A | -1.8743 | |
85 | L | A | -0.5840 | |
86 | L | A | 0.0000 | |
87 | F | A | 0.0000 | |
88 | E | A | -2.4773 | |
89 | T | A | -1.3356 | |
90 | E | A | 0.0000 | |
91 | K | A | -2.5842 | |
92 | I | A | 0.0000 | |
93 | D | A | -1.7891 | |
94 | I | A | 0.0000 | |
95 | V | A | 0.0000 | |
96 | L | A | 0.0000 | |
97 | H | A | 0.0000 | |
98 | F | A | 0.2273 | |
99 | A | A | -0.2809 | |
100 | A | A | -0.1675 | |
101 | Q | A | -0.6966 | |
102 | T | A | -0.3703 | |
103 | H | A | -0.5042 | |
104 | V | A | 0.4418 | |
105 | D | A | 0.4507 | |
106 | L | A | 0.7007 | |
107 | S | A | 0.0000 | |
108 | F | A | 2.5377 | |
109 | V | A | 2.1386 | |
110 | R | A | 0.0911 | |
111 | A | A | 1.1181 | |
112 | F | A | 1.7118 | |
113 | E | A | 0.0534 | |
114 | F | A | 0.0000 | |
115 | T | A | 0.7378 | |
116 | Y | A | 1.2622 | |
117 | V | A | 0.6534 | |
118 | N | A | 0.0000 | |
119 | V | A | 0.7823 | |
120 | Y | A | 0.7007 | |
121 | G | A | 0.0000 | |
122 | T | A | 0.0000 | |
123 | H | A | 0.1183 | |
124 | V | A | 0.0000 | |
125 | L | A | 0.0000 | |
126 | V | A | 0.0000 | |
127 | S | A | -0.9855 | |
128 | A | A | 0.0000 | |
129 | A | A | 0.0000 | |
130 | H | A | -1.9501 | |
131 | E | A | -2.9130 | |
132 | A | A | -2.9012 | |
133 | R | A | -3.1283 | |
134 | V | A | 0.0000 | |
135 | E | A | -1.9544 | |
136 | K | A | -1.4327 | |
137 | F | A | 0.0000 | |
138 | I | A | 0.0000 | |
139 | Y | A | 0.0000 | |
140 | V | A | 0.2478 | |
141 | S | A | 0.0000 | |
142 | T | A | 0.0000 | |
143 | D | A | 0.0000 | |
144 | E | A | -0.5987 | |
145 | V | A | 0.0000 | |
146 | Y | A | 0.0000 | |
147 | G | A | 0.0000 | |
148 | G | A | -1.2126 | |
149 | S | A | -1.2058 | |
150 | L | A | -0.5895 | |
151 | D | A | -2.2067 | |
152 | K | A | -2.8115 | |
153 | E | A | -3.1063 | |
154 | F | A | 0.0000 | |
155 | D | A | -2.2819 | |
156 | E | A | -1.3171 | |
157 | S | A | -0.7055 | |
158 | S | A | 0.0000 | |
159 | P | A | -0.9672 | |
160 | K | A | -1.2622 | |
161 | Q | A | -1.6197 | |
162 | P | A | -1.0036 | |
163 | T | A | -0.7437 | |
164 | N | A | 0.0360 | |
165 | P | A | 0.7024 | |
166 | Y | A | -0.0753 | |
167 | A | A | 0.0000 | |
168 | S | A | -0.4167 | |
169 | S | A | 0.0000 | |
170 | K | A | 0.0000 | |
171 | A | A | 0.0000 | |
172 | A | A | 0.4649 | |
173 | A | A | 0.0000 | |
174 | E | A | 0.0000 | |
175 | C | A | 1.0080 | |
176 | F | A | 0.9913 | |
177 | V | A | 0.0000 | |
178 | Q | A | -0.5492 | |
179 | S | A | -0.6457 | |
180 | Y | A | -0.6895 | |
181 | W | A | -1.4524 | |
182 | E | A | -2.4999 | |
183 | Q | A | -1.8660 | |
184 | Y | A | -0.5317 | |
185 | K | A | -1.9164 | |
186 | F | A | 0.0000 | |
187 | P | A | -1.4868 | |
188 | V | A | 0.0000 | |
189 | V | A | 0.0000 | |
190 | I | A | 0.0000 | |
191 | T | A | 0.0000 | |
192 | R | A | 0.0000 | |
193 | S | A | 0.0000 | |
194 | S | A | 0.0000 | |
195 | N | A | -0.3580 | |
196 | V | A | 0.0000 | |
197 | Y | A | 0.0000 | |
198 | G | A | 0.0000 | |
199 | P | A | -0.5099 | |
200 | H | A | -0.2319 | |
201 | Q | A | 0.0000 | |
202 | Y | A | -0.1738 | |
203 | P | A | 0.0000 | |
204 | E | A | -0.9604 | |
205 | K | A | -0.9125 | |
206 | V | A | -0.1277 | |
207 | I | A | 0.0000 | |
208 | P | A | 0.0000 | |
209 | K | A | -0.4169 | |
210 | F | A | 0.0000 | |
211 | I | A | 0.0000 | |
212 | S | A | 0.0000 | |
213 | L | A | 0.0000 | |
214 | L | A | 0.0000 | |
215 | Q | A | -1.7258 | |
216 | H | A | -1.9853 | |
217 | N | A | -2.8964 | |
218 | R | A | -3.0274 | |
219 | K | A | -2.8654 | |
220 | C | A | 0.0000 | |
221 | C | A | -0.2166 | |
222 | I | A | 0.0000 | |
223 | H | A | -0.6475 | |
224 | G | A | -1.0293 | |
225 | S | A | -0.1149 | |
226 | G | A | 0.0000 | |
227 | L | A | 0.7882 | |
228 | Q | A | -0.2190 | |
229 | T | A | -0.2648 | |
230 | R | A | -0.6804 | |
231 | N | A | 0.0000 | |
232 | F | A | 0.0000 | |
233 | L | A | 0.0000 | |
234 | Y | A | 0.0000 | |
235 | A | A | 0.0000 | |
236 | T | A | -0.6189 | |
237 | D | A | 0.0000 | |
238 | V | A | 0.0000 | |
239 | V | A | 0.0000 | |
240 | E | A | -1.9131 | |
241 | A | A | 0.0000 | |
242 | F | A | 0.0000 | |
243 | L | A | 0.0000 | |
244 | T | A | 0.0000 | |
245 | V | A | 0.0000 | |
246 | L | A | 0.0000 | |
247 | K | A | -2.4946 | |
248 | K | A | -2.4963 | |
249 | G | A | -2.0253 | |
250 | K | A | -2.2987 | |
251 | P | A | -1.6001 | |
252 | G | A | -1.3143 | |
253 | E | A | -1.0860 | |
254 | I | A | -0.5791 | |
255 | Y | A | 0.0000 | |
256 | N | A | 0.0000 | |
257 | I | A | 0.0000 | |
258 | G | A | 0.0000 | |
259 | T | A | -1.1197 | |
260 | N | A | -1.4577 | |
261 | F | A | -0.6392 | |
262 | E | A | -1.2837 | |
263 | M | A | -0.6130 | |
264 | S | A | 0.0000 | |
265 | V | A | -0.0715 | |
266 | V | A | -0.1543 | |
267 | Q | A | -1.4038 | |
268 | L | A | 0.0000 | |
269 | A | A | 0.0000 | |
270 | K | A | -1.8663 | |
271 | E | A | -1.5813 | |
272 | L | A | 0.0000 | |
273 | I | A | -1.6331 | |
274 | Q | A | -1.7544 | |
275 | L | A | 0.0000 | |
276 | I | A | 0.0000 | |
277 | K | A | -2.9286 | |
278 | E | A | -2.8335 | |
279 | T | A | -2.1491 | |
280 | N | A | -2.0255 | |
281 | S | A | -2.1420 | |
282 | E | A | -2.8410 | |
283 | S | A | -2.7932 | |
284 | E | A | -3.1699 | |
285 | M | A | -2.9486 | |
286 | E | A | -2.7986 | |
287 | N | A | -2.5986 | |
288 | W | A | -2.4916 | |
289 | V | A | -1.1332 | |
290 | D | A | -0.6316 | |
291 | Y | A | 0.3094 | |
292 | V | A | -0.2904 | |
293 | N | A | -1.7994 | |
294 | D | A | -1.7580 | |
295 | R | A | -2.1261 | |
296 | P | A | -1.7529 | |
297 | T | A | -1.5987 | |
298 | N | A | -1.6153 | |
299 | D | A | -0.9264 | |
300 | M | A | -0.7122 | |
301 | R | A | -1.2078 | |
302 | Y | A | 0.0000 | |
303 | P | A | -1.9075 | |
304 | M | A | 0.0000 | |
305 | K | A | -2.4666 | |
306 | S | A | 0.0000 | |
307 | E | A | -2.9091 | |
308 | K | A | -2.0336 | |
309 | I | A | 0.0000 | |
310 | H | A | -1.9898 | |
311 | G | A | -1.5398 | |
312 | L | A | -1.6104 | |
313 | G | A | -1.4508 | |
314 | W | A | 0.0000 | |
315 | R | A | -2.8969 | |
316 | P | A | -2.1562 | |
317 | K | A | -2.3440 | |
318 | V | A | -1.5085 | |
319 | P | A | -1.3510 | |
320 | W | A | -1.4742 | |
321 | K | A | -2.5638 | |
322 | E | A | -2.8058 | |
323 | G | A | 0.0000 | |
324 | I | A | 0.0000 | |
325 | K | A | -3.0609 | |
326 | K | A | -2.9047 | |
327 | T | A | 0.0000 | |
328 | I | A | 0.0000 | |
329 | E | A | -3.1186 | |
330 | W | A | -2.0235 | |
331 | Y | A | 0.0000 | |
332 | R | A | -2.3452 | |
333 | E | A | -2.8489 | |
334 | N | A | 0.0000 | |
335 | F | A | 0.0000 | |
336 | H | A | -2.3186 | |
337 | N | A | -2.4541 | |
338 | W | A | -2.1390 | |
339 | K | A | -2.9929 | |
340 | N | A | -2.5297 | |
341 | V | A | -2.5667 | |
342 | E | A | -3.4763 | |
343 | K | A | -3.4679 | |
344 | A | A | -2.2855 | |
345 | L | A | -2.1802 | |
346 | E | A | -2.5757 | |
347 | P | A | -0.6745 | |
348 | F | A | 0.7393 | |
349 | P | A | 0.8686 | |
350 | V | A | 1.8325 |