Chain sequence(s) |
A: DVIREYLMFNELSALSSSPESVRSRFSSIYGTNPDGIALNNETYFNAVKPPITAQYGYYCYKNVGTVQYVNRPTDINPNVILAQDTLTNNTNEPFTTTITITGSFTNTSTVTSSTTTGFKFTSKLSIKKVFEIGGEVSFSTTIGTSETTTETITVSKSVTVTVPAQSRRTIQLTAKIAKESADFSAPITVDGYFGANFPKRVGPGGHYFWFNPARDVLNTTSGTLRGTVTNVSSFDFQTIVQPARSL
B: MDVIREYLMFNELSALSSSPESVRSRFSSIYGTNPDGIALNNETYFNAVKPPITAQYGYYCYKNVGTVQYVNRPTDINPNVILAQDTLTNNTNEPFTTTITITGSFTNTSTVTSSTTTGFKFTSKLSIKKVFEIGGEVSFSTTIGTSETTTETITVSKSVTVTVPAQSRRTIQLTAKIAKESADFSAPITVDGYFGANFPKRVGPGGHYFWFNPARDVLNTTSGTLRGTVTNVSSFDFQTIVQPARSL input PDB |
Selected Chain(s) | A,B |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | VT53A,VT121A,FY146A,FY262A,LQ133A,IT132A,FY260A,IT150A,VW181A |
Energy difference between WT (input) and mutated protein (by FoldX) | 11.0558 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 all chain(s) selected (00:00:00) [INFO] runJob: Creating pdb object from: input.pdb (00:00:00) [INFO] FoldX: Starting FoldX energy minimalization (00:00:01) [INFO] FoldX: Building mutant model (00:01:21) [INFO] FoldX: Starting FoldX energy minimalization (00:01:47) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:01) [INFO] Main: Simulation completed successfully. (00:03:05) |
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 | |
52 | D | A | -2.1466 | |
53 | T | A | -1.4176 | mutated: VT53A |
54 | I | A | 0.0000 | |
55 | R | A | -2.0176 | |
56 | E | A | -0.7513 | |
57 | Y | A | 0.1384 | |
58 | L | A | 0.0000 | |
59 | M | A | -0.4796 | |
60 | F | A | 0.0000 | |
61 | N | A | -1.4229 | |
62 | E | A | 0.0000 | |
63 | L | A | 0.0000 | |
64 | S | A | -0.7889 | |
65 | A | A | 0.0000 | |
66 | L | A | 0.0000 | |
67 | S | A | -0.7100 | |
68 | S | A | 0.0000 | |
69 | S | A | -1.2461 | |
70 | P | A | -1.1829 | |
71 | E | A | -2.0788 | |
72 | S | A | -1.6779 | |
73 | V | A | 0.0000 | |
74 | R | A | -1.6722 | |
75 | S | A | -1.7242 | |
76 | R | A | -1.8743 | |
77 | F | A | 0.0000 | |
78 | S | A | -1.1496 | |
79 | S | A | -0.6520 | |
80 | I | A | -0.0102 | |
81 | Y | A | -0.3880 | |
82 | G | A | -0.6979 | |
83 | T | A | -1.3620 | |
84 | N | A | -1.9123 | |
85 | P | A | 0.0000 | |
86 | D | A | -1.1640 | |
87 | G | A | 0.0000 | |
88 | I | A | 0.0000 | |
89 | A | A | 0.0000 | |
90 | L | A | 0.0000 | |
91 | N | A | 0.0000 | |
92 | N | A | -1.9594 | |
93 | E | A | -1.7980 | |
94 | T | A | -0.8431 | |
95 | Y | A | 0.0743 | |
96 | F | A | -0.0257 | |
97 | N | A | -1.0980 | |
98 | A | A | -0.7349 | |
99 | V | A | -0.5419 | |
100 | K | A | -2.1581 | |
101 | P | A | -1.7572 | |
102 | P | A | 0.0000 | |
103 | I | A | 0.0000 | |
104 | T | A | 0.0000 | |
105 | A | A | -0.6663 | |
106 | Q | A | -0.7462 | |
107 | Y | A | 0.9155 | |
108 | G | A | 0.3208 | |
109 | Y | A | 0.8542 | |
110 | Y | A | 0.8114 | |
111 | C | A | 0.0000 | |
112 | Y | A | -0.0245 | |
113 | K | A | 0.0000 | |
114 | N | A | -1.0325 | |
115 | V | A | 0.0000 | |
116 | G | A | -0.9077 | |
117 | T | A | -0.6925 | |
118 | V | A | -1.0054 | |
119 | Q | A | -1.1438 | |
120 | Y | A | -1.0352 | |
121 | T | A | -1.1865 | mutated: VT121A |
122 | N | A | -1.9348 | |
123 | R | A | -2.3043 | |
124 | P | A | -1.6986 | |
125 | T | A | -2.0780 | |
126 | D | A | -2.5294 | |
127 | I | A | -1.5749 | |
128 | N | A | -2.1296 | |
129 | P | A | -1.6084 | |
130 | N | A | -1.7090 | |
131 | V | A | -0.6878 | |
132 | T | A | -0.5717 | mutated: IT132A |
133 | Q | A | -0.5991 | mutated: LQ133A |
134 | A | A | -0.9946 | |
135 | Q | A | -1.7890 | |
136 | D | A | -1.7500 | |
137 | T | A | -1.2237 | |
138 | L | A | -0.7731 | |
139 | T | A | -1.1638 | |
140 | N | A | 0.0000 | |
141 | N | A | -2.0815 | |
142 | T | A | -2.1043 | |
143 | N | A | -2.6912 | |
144 | E | A | -2.7685 | |
145 | P | A | -1.4678 | |
146 | Y | A | -0.2266 | mutated: FY146A |
147 | T | A | 0.0686 | |
148 | T | A | 0.0114 | |
149 | T | A | -0.2127 | |
150 | T | A | -0.2655 | mutated: IT150A |
151 | T | A | -0.3710 | |
152 | I | A | 0.0000 | |
153 | T | A | -0.5429 | |
154 | G | A | 0.0000 | |
155 | S | A | -0.2201 | |
156 | F | A | -0.0498 | |
157 | T | A | -0.2616 | |
158 | N | A | -0.3366 | |
159 | T | A | -0.3999 | |
160 | S | A | -0.7034 | |
161 | T | A | -0.4306 | |
162 | V | A | 0.0000 | |
163 | T | A | -0.7239 | |
164 | S | A | 0.0000 | |
165 | S | A | -1.0395 | |
166 | T | A | -0.9192 | |
167 | T | A | -0.4739 | |
168 | T | A | -0.5371 | |
169 | G | A | -0.8933 | |
170 | F | A | 0.0000 | |
171 | K | A | -1.6977 | |
172 | F | A | 0.0000 | |
173 | T | A | -1.0209 | |
174 | S | A | -1.6355 | |
175 | K | A | -2.0850 | |
176 | L | A | 0.0000 | |
177 | S | A | -1.5397 | |
178 | I | A | 0.0000 | |
179 | K | A | -2.1574 | |
180 | K | A | -1.3883 | |
181 | W | A | -0.6374 | mutated: VW181A |
182 | F | A | 0.0000 | |
183 | E | A | -1.7226 | |
184 | I | A | -0.7312 | |
185 | G | A | -0.8863 | |
186 | G | A | 0.0000 | |
187 | E | A | -1.9430 | |
188 | V | A | 0.0000 | |
189 | S | A | -1.3389 | |
190 | F | A | 0.0000 | |
191 | S | A | -1.3528 | |
192 | T | A | 0.0000 | |
193 | T | A | -1.1947 | |
194 | I | A | 0.0000 | |
195 | G | A | -1.0257 | |
196 | T | A | -0.6182 | |
197 | S | A | -0.8368 | |
198 | E | A | -1.1422 | |
199 | T | A | -0.6582 | |
200 | T | A | -0.5110 | |
201 | T | A | -0.4285 | |
202 | E | A | -0.6881 | |
203 | T | A | -0.4381 | |
204 | I | A | 0.0000 | |
205 | T | A | -0.1884 | |
206 | V | A | 0.0000 | |
207 | S | A | -0.2214 | |
208 | K | A | -0.3826 | |
209 | S | A | -0.3760 | |
210 | V | A | 0.0000 | |
211 | T | A | -0.1940 | |
212 | V | A | 0.0000 | |
213 | T | A | -0.0421 | |
214 | V | A | 0.0000 | |
215 | P | A | -1.5811 | |
216 | A | A | -1.9188 | |
217 | Q | A | -2.1351 | |
218 | S | A | 0.0000 | |
219 | R | A | -2.0029 | |
220 | R | A | -1.5678 | |
221 | T | A | 0.0000 | |
222 | I | A | 0.0000 | |
223 | Q | A | -0.8973 | |
224 | L | A | 0.0000 | |
225 | T | A | 0.0000 | |
226 | A | A | 0.0000 | |
227 | K | A | -1.3063 | |
228 | I | A | -1.0620 | |
229 | A | A | 0.0000 | |
230 | K | A | -2.2468 | |
231 | E | A | 0.0000 | |
232 | S | A | 0.0000 | |
233 | A | A | 0.0000 | |
234 | D | A | -1.2851 | |
235 | F | A | 0.0000 | |
236 | S | A | -0.9377 | |
237 | A | A | 0.0000 | |
238 | P | A | -0.6550 | |
239 | I | A | 0.0000 | |
240 | T | A | -0.5679 | |
241 | V | A | 0.0000 | |
242 | D | A | -0.7147 | |
243 | G | A | -0.0629 | |
244 | Y | A | 0.2037 | |
245 | F | A | 0.0000 | |
246 | G | A | 0.0000 | |
247 | A | A | 0.0000 | |
248 | N | A | 0.0000 | |
249 | F | A | 0.0000 | |
250 | P | A | -1.6774 | |
251 | K | A | -2.7136 | |
252 | R | A | -2.7036 | |
253 | V | A | 0.0000 | |
254 | G | A | -0.7384 | |
255 | P | A | -0.9267 | |
256 | G | A | -1.1148 | |
257 | G | A | -1.4956 | |
258 | H | A | -1.2761 | |
259 | Y | A | -0.4362 | |
260 | Y | A | 0.4717 | mutated: FY260A |
261 | W | A | 0.7107 | |
262 | Y | A | 0.6130 | mutated: FY262A |
263 | N | A | -0.2372 | |
264 | P | A | -0.7495 | |
265 | A | A | 0.0000 | |
266 | R | A | -2.5410 | |
267 | D | A | -1.8399 | |
268 | V | A | 0.0000 | |
269 | L | A | 0.0000 | |
270 | N | A | -1.9794 | |
271 | T | A | -1.2709 | |
272 | T | A | -1.1101 | |
273 | S | A | -0.7383 | |
274 | G | A | -0.3501 | |
275 | T | A | -0.5956 | |
276 | L | A | 0.0000 | |
277 | R | A | -1.4899 | |
278 | G | A | 0.0000 | |
279 | T | A | -0.6958 | |
280 | V | A | 0.0000 | |
281 | T | A | -0.5561 | |
282 | N | A | 0.0000 | |
283 | V | A | -0.5328 | |
284 | S | A | 0.0000 | |
285 | S | A | 0.0000 | |
286 | F | A | -0.0857 | |
287 | D | A | -0.8536 | |
288 | F | A | -0.2889 | |
289 | Q | A | -0.6435 | |
290 | T | A | -0.4751 | |
291 | I | A | -0.2262 | |
292 | V | A | -0.4537 | |
293 | Q | A | -1.0372 | |
294 | P | A | -1.1964 | |
295 | A | A | -1.6072 | |
296 | R | A | -2.3191 | |
297 | S | A | -0.9777 | |
298 | L | A | 0.2037 | |
51 | M | B | 0.5343 | |
52 | D | B | -0.9209 | |
53 | V | B | -0.3242 | |
54 | I | B | 0.0000 | |
55 | R | B | -1.5567 | |
56 | E | B | -0.6072 | |
57 | Y | B | 0.2706 | |
58 | L | B | 0.0000 | |
59 | M | B | -0.4262 | |
60 | F | B | 0.0000 | |
61 | N | B | -1.4350 | |
62 | E | B | 0.0000 | |
63 | L | B | 0.0000 | |
64 | S | B | -0.7952 | |
65 | A | B | 0.0000 | |
66 | L | B | 0.0000 | |
67 | S | B | -0.7387 | |
68 | S | B | 0.0000 | |
69 | S | B | -1.2539 | |
70 | P | B | -1.1052 | |
71 | E | B | -2.0942 | |
72 | S | B | -1.6727 | |
73 | V | B | 0.0000 | |
74 | R | B | -1.7391 | |
75 | S | B | -1.6848 | |
76 | R | B | -1.7360 | |
77 | F | B | 0.0000 | |
78 | S | B | -1.0968 | |
79 | S | B | -0.5760 | |
80 | I | B | 0.1049 | |
81 | Y | B | -0.3244 | |
82 | G | B | -0.6608 | |
83 | T | B | -1.3307 | |
84 | N | B | -1.7229 | |
85 | P | B | 0.0000 | |
86 | D | B | -1.2539 | |
87 | G | B | 0.0000 | |
88 | I | B | 0.0000 | |
89 | A | B | 0.0000 | |
90 | L | B | 0.0000 | |
91 | N | B | 0.0000 | |
92 | N | B | -1.6593 | |
93 | E | B | -1.3536 | |
94 | T | B | -0.6029 | |
95 | Y | B | 0.1562 | |
96 | F | B | -0.0225 | |
97 | N | B | -1.0715 | |
98 | A | B | -0.6094 | |
99 | V | B | -0.4083 | |
100 | K | B | -2.0024 | |
101 | P | B | -1.5826 | |
102 | P | B | 0.0000 | |
103 | I | B | 0.0000 | |
104 | T | B | 0.0000 | |
105 | A | B | -0.6186 | |
106 | Q | B | -0.6366 | |
107 | Y | B | 0.9938 | |
108 | G | B | 0.3886 | |
109 | Y | B | 0.8252 | |
110 | Y | B | 0.7670 | |
111 | C | B | 0.0000 | |
112 | Y | B | -0.0025 | |
113 | K | B | 0.0000 | |
114 | N | B | 0.0000 | |
115 | V | B | 0.0000 | |
116 | G | B | -0.4578 | |
117 | T | B | -0.1381 | |
118 | V | B | -0.7297 | |
119 | Q | B | -0.8137 | |
120 | Y | B | -0.1474 | |
121 | V | B | 0.4623 | |
122 | N | B | -1.4150 | |
123 | R | B | -2.5651 | |
124 | P | B | -1.8462 | |
125 | T | B | -2.2111 | |
126 | D | B | -2.5185 | |
127 | I | B | -1.4399 | |
128 | N | B | -2.0598 | |
129 | P | B | -1.5984 | |
130 | N | B | -1.3072 | |
131 | V | B | 0.0672 | |
132 | I | B | 1.0447 | |
133 | L | B | 0.5288 | |
134 | A | B | -0.4696 | |
135 | Q | B | -1.6496 | |
136 | D | B | -2.2242 | |
137 | T | B | -1.3624 | |
138 | L | B | -0.6022 | |
139 | T | B | -1.1002 | |
140 | N | B | 0.0000 | |
141 | N | B | -2.0876 | |
142 | T | B | -2.0426 | |
143 | N | B | -2.6721 | |
144 | E | B | -2.7238 | |
145 | P | B | -1.3660 | |
146 | F | B | -0.0113 | |
147 | T | B | 0.1957 | |
148 | T | B | 0.1665 | |
149 | T | B | -0.0269 | |
150 | I | B | 0.0710 | |
151 | T | B | -0.2587 | |
152 | I | B | 0.0000 | |
153 | T | B | -0.4977 | |
154 | G | B | 0.0000 | |
155 | S | B | -0.0988 | |
156 | F | B | 0.1040 | |
157 | T | B | -0.1896 | |
158 | N | B | -0.2467 | |
159 | T | B | -0.3245 | |
160 | S | B | 0.0000 | |
161 | T | B | -0.3879 | |
162 | V | B | 0.0000 | |
163 | T | B | -0.7855 | |
164 | S | B | 0.0000 | |
165 | S | B | -1.2047 | |
166 | T | B | -1.0954 | |
167 | T | B | -0.6260 | |
168 | T | B | -0.5748 | |
169 | G | B | -0.9708 | |
170 | F | B | 0.0000 | |
171 | K | B | -1.7136 | |
172 | F | B | 0.0000 | |
173 | T | B | -0.9260 | |
174 | S | B | -1.3328 | |
175 | K | B | -1.7684 | |
176 | L | B | 0.0000 | |
177 | S | B | -1.0181 | |
178 | I | B | 0.0000 | |
179 | K | B | -1.8567 | |
180 | K | B | -1.0316 | |
181 | V | B | 0.0706 | |
182 | F | B | 0.0000 | |
183 | E | B | -1.5945 | |
184 | I | B | -0.7440 | |
185 | G | B | -0.8295 | |
186 | G | B | -0.9009 | |
187 | E | B | -1.6620 | |
188 | V | B | 0.0000 | |
189 | S | B | -1.2095 | |
190 | F | B | 0.0000 | |
191 | S | B | -1.1836 | |
192 | T | B | 0.0000 | |
193 | T | B | -1.1033 | |
194 | I | B | -1.1021 | |
195 | G | B | -1.0019 | |
196 | T | B | -0.5539 | |
197 | S | B | -0.7830 | |
198 | E | B | -1.0501 | |
199 | T | B | -0.5850 | |
200 | T | B | -0.4405 | |
201 | T | B | -0.3503 | |
202 | E | B | -0.5630 | |
203 | T | B | -0.3509 | |
204 | I | B | 0.0000 | |
205 | T | B | -0.1459 | |
206 | V | B | 0.0000 | |
207 | S | B | -0.2305 | |
208 | K | B | -0.3516 | |
209 | S | B | -0.2937 | |
210 | V | B | 0.0000 | |
211 | T | B | -0.0724 | |
212 | V | B | 0.0000 | |
213 | T | B | 0.0878 | |
214 | V | B | 0.0000 | |
215 | P | B | -1.5541 | |
216 | A | B | -2.0212 | |
217 | Q | B | -2.2776 | |
218 | S | B | 0.0000 | |
219 | R | B | -1.7664 | |
220 | R | B | -1.4903 | |
221 | T | B | -1.3408 | |
222 | I | B | 0.0000 | |
223 | Q | B | -0.5075 | |
224 | L | B | 0.0000 | |
225 | T | B | 0.0000 | |
226 | A | B | 0.0000 | |
227 | K | B | -0.9035 | |
228 | I | B | -0.9859 | |
229 | A | B | 0.0000 | |
230 | K | B | -2.1465 | |
231 | E | B | 0.0000 | |
232 | S | B | -1.3668 | |
233 | A | B | 0.0000 | |
234 | D | B | -0.9353 | |
235 | F | B | 0.0000 | |
236 | S | B | -0.9635 | |
237 | A | B | 0.0000 | |
238 | P | B | -0.7476 | |
239 | I | B | 0.0000 | |
240 | T | B | -0.7297 | |
241 | V | B | 0.0000 | |
242 | D | B | -1.3970 | |
243 | G | B | -0.3779 | |
244 | Y | B | 0.1382 | |
245 | F | B | 0.0000 | |
246 | G | B | 0.0000 | |
247 | A | B | 0.0000 | |
248 | N | B | 0.0000 | |
249 | F | B | 0.0000 | |
250 | P | B | -1.5861 | |
251 | K | B | -2.4642 | |
252 | R | B | -2.5487 | |
253 | V | B | 0.0000 | |
254 | G | B | -0.7395 | |
255 | P | B | -0.9763 | |
256 | G | B | -1.0257 | |
257 | G | B | -1.4624 | |
258 | H | B | -1.1472 | |
259 | Y | B | -0.0457 | |
260 | F | B | 0.7577 | |
261 | W | B | 0.5988 | |
262 | F | B | 0.8692 | |
263 | N | B | 0.0000 | |
264 | P | B | -0.7466 | |
265 | A | B | 0.0000 | |
266 | R | B | -2.5737 | |
267 | D | B | -1.5821 | |
268 | V | B | 0.0000 | |
269 | L | B | 0.0000 | |
270 | N | B | -1.9403 | |
271 | T | B | -1.2730 | |
272 | T | B | -1.2477 | |
273 | S | B | -0.8021 | |
274 | G | B | -0.3180 | |
275 | T | B | -0.7277 | |
276 | L | B | 0.0000 | |
277 | R | B | -2.1856 | |
278 | G | B | -1.1272 | |
279 | T | B | -0.7098 | |
280 | V | B | 0.0000 | |
281 | T | B | -0.6006 | |
282 | N | B | 0.0000 | |
283 | V | B | -0.4491 | |
284 | S | B | -0.1464 | |
285 | S | B | 0.0000 | |
286 | F | B | -0.0607 | |
287 | D | B | -0.7796 | |
288 | F | B | 0.0013 | |
289 | Q | B | -0.4272 | |
290 | T | B | -0.1576 | |
291 | I | B | 0.0764 | |
292 | V | B | -0.2041 | |
293 | Q | B | -0.5896 | |
294 | P | B | -0.9095 | |
295 | A | B | -1.4538 | |
296 | R | B | -2.2359 | |
297 | S | B | -1.1191 | |
298 | L | B | 0.2013 |