Chain sequence(s) |
A: TRPQLVVDRDRHAKLELNMDVTFPSMPCDLVNLDIMDDSGEMQLDILDAGFTMSRLNSEGRPVGDATELHVGGNGDGTAPVNNDPNYCGPCYGAKDQSQNENLAQEEKVCCQDCDAVRSAYLEAGWAFFDGKNIEQCEREGYVSKINEHLNEGCRIKGSAQINRIQGNLHFAPGKPYQNAYGHFHDTSLYDKTSNLNFNHIINHLSFGKPIQSHSKLLGNDKRHGGAVVATSPLDGRQVFPDRNTHFHQFSYFAKIVPTRYEYLDNVVIETAQFSATFHSRPLAGGRDKDHPNTLHVRGGIPGMFVFFEMSPLKVINKEQ
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | LV7A |
Energy difference between WT (input) and mutated protein (by FoldX) | 0.900768 kcal/mol |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:01) [INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01) [INFO] runJob: Creating pdb object from: input.pdb (00:00:01) [INFO] FoldX: Starting FoldX energy minimalization (00:00:01) [INFO] FoldX: Building mutant model (00:03:38) [INFO] FoldX: Starting FoldX energy minimalization (00:03:42) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:45) [CRITICAL] pyMol: Pymol encountered an error: /bin/sh: pymol: command not found Movie creation failed. (00:06:45) [INFO] Main: Simulation completed successfully. (00:06:48) |
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 | |
3 | T | A | -2.5393 | |
4 | R | A | -2.9219 | |
5 | P | A | -1.4337 | |
6 | Q | A | -0.3269 | |
7 | V | A | 2.2407 | mutated: LV7A |
8 | V | A | 1.7775 | |
9 | V | A | 1.7720 | |
10 | D | A | -0.6549 | |
11 | R | A | -2.9464 | |
12 | D | A | -3.6184 | |
13 | R | A | -3.7382 | |
14 | H | A | -2.8087 | |
15 | A | A | -1.7571 | |
16 | K | A | -2.0451 | |
17 | L | A | 0.0000 | |
18 | E | A | -1.7991 | |
19 | L | A | 0.0000 | |
20 | N | A | -1.1661 | |
21 | M | A | 0.0000 | |
22 | D | A | -1.4621 | |
23 | V | A | 0.0000 | |
24 | T | A | 0.0000 | |
25 | F | A | 0.0000 | |
26 | P | A | 0.0000 | |
27 | S | A | 0.0000 | |
28 | M | A | 0.0000 | |
29 | P | A | -1.7274 | |
30 | C | A | -1.7580 | |
31 | D | A | -1.7389 | |
32 | L | A | 0.0000 | |
33 | V | A | 0.0000 | |
34 | N | A | -0.9546 | |
35 | L | A | 0.0000 | |
36 | D | A | -0.3019 | |
37 | I | A | 0.0000 | |
38 | M | A | -0.8648 | |
39 | D | A | -1.5537 | |
40 | D | A | -2.4230 | |
41 | S | A | -1.6061 | |
42 | G | A | -1.6467 | |
43 | E | A | -2.2296 | |
44 | M | A | -1.0707 | |
45 | Q | A | -1.3579 | |
46 | L | A | -0.2026 | |
47 | D | A | -0.6077 | |
48 | I | A | 0.0000 | |
49 | L | A | 0.3143 | |
50 | D | A | -1.0324 | |
51 | A | A | -0.1435 | |
52 | G | A | -0.1158 | |
53 | F | A | 0.8576 | |
54 | T | A | -0.4547 | |
55 | M | A | 0.0000 | |
56 | S | A | -1.0741 | |
57 | R | A | -2.3436 | |
58 | L | A | 0.0000 | |
59 | N | A | -2.0187 | |
60 | S | A | -2.1813 | |
61 | E | A | -2.9773 | |
62 | G | A | -2.7750 | |
63 | R | A | -2.8913 | |
64 | P | A | -1.9457 | |
65 | V | A | 0.0000 | |
66 | G | A | -0.6564 | |
67 | D | A | 0.0000 | |
68 | A | A | -0.5474 | |
69 | T | A | -0.9259 | |
70 | E | A | -2.0685 | |
71 | L | A | 0.0000 | |
72 | H | A | -1.8182 | |
73 | V | A | -0.6556 | |
74 | G | A | -0.5737 | |
75 | G | A | -1.2365 | |
76 | N | A | -1.7476 | |
77 | G | A | -1.5436 | |
78 | D | A | -1.4234 | |
79 | G | A | 0.0000 | |
80 | T | A | -0.8409 | |
81 | A | A | -0.8326 | |
82 | P | A | -0.8329 | |
83 | V | A | -0.1508 | |
84 | N | A | -1.6919 | |
85 | N | A | -2.5148 | |
86 | D | A | -2.8051 | |
87 | P | A | -1.5610 | |
88 | N | A | -1.0243 | |
89 | Y | A | 0.8481 | |
90 | C | A | 0.8399 | |
91 | G | A | 0.2748 | |
92 | P | A | 0.4407 | |
93 | C | A | 0.9628 | |
94 | Y | A | 0.9597 | |
95 | G | A | -0.0265 | |
96 | A | A | -0.8568 | |
97 | K | A | -2.3758 | |
98 | D | A | -2.4763 | |
99 | Q | A | -1.8517 | |
100 | S | A | 0.0000 | |
101 | Q | A | -0.9697 | |
102 | N | A | 0.0000 | |
103 | E | A | -1.4696 | |
104 | N | A | 0.0000 | |
105 | L | A | -1.3182 | |
106 | A | A | -1.9692 | |
107 | Q | A | -2.1708 | |
108 | E | A | -2.3858 | |
109 | E | A | -2.1774 | |
110 | K | A | -1.6246 | |
111 | V | A | 1.0617 | |
112 | C | A | 0.4389 | |
113 | C | A | 0.0519 | |
114 | Q | A | -1.7673 | |
115 | D | A | -2.4432 | |
116 | C | A | -1.2357 | |
117 | D | A | -2.4132 | |
118 | A | A | -1.3572 | |
119 | V | A | -0.1896 | |
120 | R | A | -1.9743 | |
121 | S | A | -0.7737 | |
122 | A | A | -0.6363 | |
123 | Y | A | 0.0000 | |
124 | L | A | 0.2622 | |
125 | E | A | -1.0097 | |
126 | A | A | -0.5826 | |
127 | G | A | -0.2796 | |
128 | W | A | 0.0000 | |
129 | A | A | -0.1681 | |
130 | F | A | -0.5774 | |
131 | F | A | -0.5574 | |
132 | D | A | -2.1693 | |
133 | G | A | -1.9083 | |
134 | K | A | -2.5584 | |
135 | N | A | -1.6697 | |
136 | I | A | 0.3457 | |
137 | E | A | -0.7561 | |
138 | Q | A | -1.6042 | |
139 | C | A | -2.0546 | |
140 | E | A | -3.4519 | |
141 | R | A | -3.9202 | |
142 | E | A | -3.1464 | |
143 | G | A | -1.1820 | |
144 | Y | A | 0.8303 | |
145 | V | A | 1.1094 | |
146 | S | A | 0.1735 | |
147 | K | A | -0.7564 | |
148 | I | A | 0.5975 | |
149 | N | A | -1.2303 | |
150 | E | A | -2.2571 | |
151 | H | A | -1.0107 | |
152 | L | A | -0.6430 | |
153 | N | A | -1.8670 | |
154 | E | A | -1.3928 | |
155 | G | A | 0.0000 | |
156 | C | A | 0.0000 | |
157 | R | A | -2.2385 | |
158 | I | A | 0.0000 | |
159 | K | A | -2.2789 | |
160 | G | A | -1.6218 | |
161 | S | A | -1.5153 | |
162 | A | A | 0.0000 | |
163 | Q | A | -2.1709 | |
164 | I | A | 0.0000 | |
165 | N | A | -1.5892 | |
166 | R | A | -1.2354 | |
167 | I | A | -0.5299 | |
168 | Q | A | -1.3193 | |
169 | G | A | 0.0000 | |
170 | N | A | 0.0000 | |
171 | L | A | 0.0000 | |
172 | H | A | 0.0000 | |
173 | F | A | 0.0000 | |
174 | A | A | 0.0000 | |
175 | P | A | 0.0000 | |
176 | G | A | -0.3644 | |
177 | K | A | -1.2211 | |
178 | P | A | -0.0802 | |
179 | Y | A | 0.4626 | |
180 | Q | A | -0.4919 | |
181 | N | A | -0.3516 | |
182 | A | A | 0.5414 | |
183 | Y | A | 0.9872 | |
184 | G | A | 0.2516 | |
185 | H | A | 0.1017 | |
186 | F | A | 0.9805 | |
187 | H | A | 0.0000 | |
188 | D | A | 0.1954 | |
189 | T | A | -0.2801 | |
190 | S | A | 0.3452 | |
191 | L | A | 1.6052 | |
192 | Y | A | 1.3149 | |
193 | D | A | -0.4246 | |
194 | K | A | 0.1055 | |
195 | T | A | -0.0217 | |
196 | S | A | -0.3526 | |
197 | N | A | -1.2663 | |
198 | L | A | 0.0000 | |
199 | N | A | 0.0000 | |
200 | F | A | 0.0000 | |
201 | N | A | 0.0000 | |
202 | H | A | 0.0000 | |
203 | I | A | 0.0000 | |
204 | I | A | 0.0000 | |
205 | N | A | -1.5427 | |
206 | H | A | -0.9829 | |
207 | L | A | 0.0000 | |
208 | S | A | 0.0000 | |
209 | F | A | 0.0000 | |
210 | G | A | 0.0000 | |
211 | K | A | -1.5209 | |
212 | P | A | -1.4144 | |
213 | I | A | 0.0000 | |
214 | Q | A | -1.3586 | |
215 | S | A | -1.4123 | |
216 | H | A | -1.5461 | |
217 | S | A | -1.1138 | |
218 | K | A | -1.1463 | |
219 | L | A | 0.9480 | |
220 | L | A | 1.2666 | |
221 | G | A | -0.7677 | |
222 | N | A | -2.3432 | |
223 | D | A | -3.3126 | |
224 | K | A | -3.1858 | |
225 | R | A | -2.0858 | |
226 | H | A | -1.3123 | |
227 | G | A | -1.1831 | |
228 | G | A | 0.0000 | |
229 | A | A | -1.3067 | |
230 | V | A | 0.0000 | |
231 | V | A | 0.0000 | |
232 | A | A | -0.4210 | |
233 | T | A | -0.4958 | |
234 | S | A | 0.0000 | |
235 | P | A | -0.6408 | |
236 | L | A | 0.0000 | |
237 | D | A | 0.0000 | |
238 | G | A | 0.0000 | |
239 | R | A | 0.0000 | |
240 | Q | A | 0.0000 | |
241 | V | A | 0.0000 | |
242 | F | A | 0.0000 | |
243 | P | A | -1.2630 | |
244 | D | A | -2.3099 | |
245 | R | A | -1.0628 | |
246 | N | A | -0.8597 | |
247 | T | A | -0.3604 | |
248 | H | A | 0.0000 | |
249 | F | A | -0.0929 | |
250 | H | A | 0.0000 | |
251 | Q | A | -0.8353 | |
252 | F | A | 0.0000 | |
253 | S | A | -0.3088 | |
254 | Y | A | 0.0000 | |
255 | F | A | 0.2701 | |
256 | A | A | 0.0000 | |
257 | K | A | -1.0428 | |
258 | I | A | 0.0000 | |
259 | V | A | -0.3749 | |
260 | P | A | 0.0000 | |
261 | T | A | 0.0000 | |
262 | R | A | -1.6329 | |
263 | Y | A | -1.9091 | |
264 | E | A | -2.4337 | |
265 | Y | A | -1.0176 | |
266 | L | A | 0.0000 | |
267 | D | A | -1.5708 | |
268 | N | A | -0.7554 | |
269 | V | A | 1.2355 | |
270 | V | A | 1.8033 | |
271 | I | A | 0.2210 | |
272 | E | A | -0.4296 | |
273 | T | A | 0.0000 | |
274 | A | A | -0.8231 | |
275 | Q | A | -0.8343 | |
276 | F | A | 0.0000 | |
277 | S | A | -0.6066 | |
278 | A | A | 0.0000 | |
279 | T | A | -0.9979 | |
280 | F | A | 0.0000 | |
281 | H | A | -1.8366 | |
282 | S | A | -1.4633 | |
283 | R | A | -1.9915 | |
284 | P | A | -0.8584 | |
285 | L | A | -0.7016 | |
286 | A | A | -1.1071 | |
287 | G | A | -1.2618 | |
288 | G | A | -2.1918 | |
289 | R | A | -3.6126 | |
290 | D | A | -4.1157 | |
291 | K | A | -4.1106 | |
292 | D | A | -4.1610 | |
293 | H | A | -2.9091 | |
294 | P | A | -1.7697 | |
295 | N | A | -1.2727 | |
296 | T | A | 0.1570 | |
297 | L | A | 0.9342 | |
298 | H | A | -0.3335 | |
299 | V | A | 0.4014 | |
300 | R | A | -1.4258 | |
301 | G | A | -1.7980 | |
302 | G | A | -1.3300 | |
303 | I | A | 0.0000 | |
304 | P | A | 0.0000 | |
305 | G | A | 0.0000 | |
306 | M | A | 0.0000 | |
307 | F | A | 0.3352 | |
308 | V | A | 0.0000 | |
309 | F | A | 0.5234 | |
310 | F | A | 0.0000 | |
311 | E | A | -0.6799 | |
312 | M | A | -0.3680 | |
313 | S | A | 0.0000 | |
314 | P | A | -0.0243 | |
315 | L | A | 1.2624 | |
316 | K | A | 0.4274 | |
317 | V | A | 0.4586 | |
318 | I | A | -0.7305 | |
319 | N | A | 0.0000 | |
320 | K | A | -3.1227 | |
321 | E | A | -3.2723 | |
322 | Q | A | -2.7279 |