Chain sequence(s) |
A: NFTLPPNFGKRPTDLELSVKLVEMLEAIMYATGCTLEESKIKEVLEKPKIIDLALEAQFTLMPKTALELAKVFRLKNIEALAILVCGCSPPGNLSNLFSLKVKGDLNASLVMTTCSTICARERMPELLEKYSRGIYDGDLKDKVPYKGIDISLKLVLKPCTEGIKLKSKRPQLLRKELKELEEKIKKLTEEVTKLSKENVGKSIMFAMTPKILKTSSLMPKRGYKLGLELSEKACLNGRCRRTVSLETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMEQQLKEGEEIVKKIKEEEKKKE
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | FK206A |
Energy difference between WT (input) and mutated protein (by FoldX) | 0.0836814 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 (00:03:25) [INFO] FoldX: Starting FoldX energy minimalization (00:03:41) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:43) [INFO] Main: Simulation completed successfully. (00:06:45) |
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 | |
1 | N | A | -0.7300 | |
2 | F | A | 0.0853 | |
3 | T | A | -0.0524 | |
4 | L | A | -0.0894 | |
5 | P | A | -0.1872 | |
6 | P | A | -1.0039 | |
7 | N | A | -1.9392 | |
8 | F | A | -1.0109 | |
9 | G | A | -1.2528 | |
10 | K | A | -2.1203 | |
11 | R | A | -1.5834 | |
12 | P | A | -0.9851 | |
13 | T | A | -0.8303 | |
14 | D | A | -0.7851 | |
15 | L | A | 0.2327 | |
16 | E | A | -0.6536 | |
17 | L | A | -0.5374 | |
18 | S | A | 0.4127 | |
19 | V | A | 1.0480 | |
20 | K | A | -0.4282 | |
21 | L | A | 0.1159 | |
22 | V | A | 0.2601 | |
23 | E | A | -0.9667 | |
24 | M | A | -0.9311 | |
25 | L | A | -0.1431 | |
26 | E | A | -1.3734 | |
27 | A | A | 0.0000 | |
28 | I | A | 0.0000 | |
29 | M | A | 0.0000 | |
30 | Y | A | -0.6561 | |
31 | A | A | -0.7911 | |
32 | T | A | 0.0000 | |
33 | G | A | 0.0000 | |
34 | C | A | 0.0000 | |
35 | T | A | -0.1464 | |
36 | L | A | 0.0000 | |
37 | E | A | -2.7456 | |
38 | E | A | -3.4288 | |
39 | S | A | -2.7310 | |
40 | K | A | -3.1602 | |
41 | I | A | -2.5380 | |
42 | K | A | -3.6716 | |
43 | E | A | -3.8281 | |
44 | V | A | -2.2869 | |
45 | L | A | -1.5648 | |
46 | E | A | -3.0899 | |
47 | K | A | -2.7667 | |
48 | P | A | -1.8483 | |
49 | K | A | -1.9957 | |
50 | I | A | 0.0000 | |
51 | I | A | -1.2490 | |
52 | D | A | -2.4190 | |
53 | L | A | 0.0000 | |
54 | A | A | 0.0000 | |
55 | L | A | -1.0382 | |
56 | E | A | -1.5117 | |
57 | A | A | 0.0000 | |
58 | Q | A | 0.0000 | |
59 | F | A | 0.0000 | |
60 | T | A | -0.6258 | |
61 | L | A | -0.4631 | |
62 | M | A | 0.0000 | |
63 | P | A | 0.0000 | |
64 | K | A | -1.5512 | |
65 | T | A | 0.0000 | |
66 | A | A | 0.0000 | |
67 | L | A | -1.2103 | |
68 | E | A | -2.2109 | |
69 | L | A | 0.0000 | |
70 | A | A | 0.0000 | |
71 | K | A | -2.1469 | |
72 | V | A | 0.0163 | |
73 | F | A | -1.1474 | |
74 | R | A | -2.5696 | |
75 | L | A | -1.9782 | |
76 | K | A | -2.6794 | |
77 | N | A | -1.9661 | |
78 | I | A | -0.4237 | |
79 | E | A | 0.0000 | |
80 | A | A | 0.0000 | |
81 | L | A | 0.0000 | |
82 | A | A | 0.0000 | |
83 | I | A | 0.0000 | |
84 | L | A | 0.0000 | |
85 | V | A | 0.0000 | |
86 | C | A | 0.0000 | |
87 | G | A | 0.0000 | |
88 | C | A | 0.0000 | |
89 | S | A | 0.0000 | |
90 | P | A | 0.0000 | |
91 | P | A | 0.0000 | |
92 | G | A | 0.0000 | |
93 | N | A | -0.0020 | |
94 | L | A | 0.3616 | |
95 | S | A | 0.0000 | |
96 | N | A | 0.0000 | |
97 | L | A | 0.2686 | |
98 | F | A | 0.0000 | |
99 | S | A | 0.0000 | |
100 | L | A | -0.5030 | |
101 | K | A | -1.6294 | |
102 | V | A | 0.0000 | |
103 | K | A | -2.5191 | |
104 | G | A | 0.0000 | |
105 | D | A | -1.5479 | |
106 | L | A | 0.0000 | |
107 | N | A | 0.0000 | |
108 | A | A | 0.0000 | |
109 | S | A | 0.0000 | |
110 | L | A | 0.0000 | |
111 | V | A | 0.0000 | |
112 | M | A | 0.0000 | |
113 | T | A | 0.0000 | |
114 | T | A | 0.3911 | |
115 | C | A | 0.4614 | |
116 | S | A | 0.0000 | |
117 | T | A | 0.0000 | |
118 | I | A | -0.0623 | |
119 | C | A | -0.5693 | |
120 | A | A | 0.0000 | |
121 | R | A | -2.3363 | |
122 | E | A | -3.0737 | |
123 | R | A | -2.7696 | |
124 | M | A | 0.0000 | |
125 | P | A | 0.0000 | |
126 | E | A | -3.3860 | |
127 | L | A | 0.0000 | |
128 | L | A | 0.0000 | |
129 | E | A | -3.5331 | |
130 | K | A | -2.4691 | |
131 | Y | A | -1.4710 | |
132 | S | A | 0.0000 | |
133 | R | A | -2.8771 | |
134 | G | A | -1.6267 | |
135 | I | A | -1.1472 | |
136 | Y | A | -1.5977 | |
137 | D | A | -2.4502 | |
138 | G | A | -2.4873 | |
139 | D | A | -3.5490 | |
140 | L | A | 0.0000 | |
141 | K | A | -3.6041 | |
142 | D | A | -2.9589 | |
143 | K | A | -1.9360 | |
144 | V | A | 0.0000 | |
145 | P | A | -0.7991 | |
146 | Y | A | -0.8280 | |
147 | K | A | -1.7184 | |
148 | G | A | -1.0522 | |
149 | I | A | 0.0000 | |
150 | D | A | -1.9725 | |
151 | I | A | -0.5992 | |
152 | S | A | -0.5418 | |
153 | L | A | -0.8916 | |
154 | K | A | -1.6330 | |
155 | L | A | -0.9440 | |
156 | V | A | 0.0000 | |
157 | L | A | -0.8954 | |
158 | K | A | -2.3525 | |
159 | P | A | 0.0000 | |
160 | C | A | 0.0000 | |
161 | T | A | -1.8898 | |
162 | E | A | -2.6159 | |
163 | G | A | 0.0000 | |
164 | I | A | 0.0000 | |
165 | K | A | -3.1243 | |
166 | L | A | -2.4572 | |
167 | K | A | -2.4584 | |
168 | S | A | -2.8460 | |
169 | K | A | -3.2590 | |
170 | R | A | -3.2888 | |
171 | P | A | -2.5109 | |
172 | Q | A | -2.5201 | |
173 | L | A | -1.8121 | |
174 | L | A | -2.3190 | |
175 | R | A | -3.3699 | |
176 | K | A | -3.6425 | |
177 | E | A | -2.9154 | |
178 | L | A | -3.0536 | |
179 | K | A | -4.7546 | |
180 | E | A | -4.9157 | |
181 | L | A | 0.0000 | |
182 | E | A | -4.7184 | |
183 | E | A | -5.0670 | |
184 | K | A | -4.2071 | |
185 | I | A | -3.7001 | |
186 | K | A | -4.5338 | |
187 | K | A | -4.3317 | |
188 | L | A | -3.1159 | |
189 | T | A | -2.7998 | |
190 | E | A | -3.6989 | |
191 | E | A | -3.4383 | |
192 | V | A | 0.0000 | |
193 | T | A | -2.6228 | |
194 | K | A | -3.4799 | |
195 | L | A | -2.7301 | |
196 | S | A | -2.2069 | |
197 | K | A | -3.5418 | |
198 | E | A | -3.2808 | |
199 | N | A | 0.0000 | |
200 | V | A | -1.2823 | |
201 | G | A | -2.1539 | |
202 | K | A | -2.6171 | |
203 | S | A | -1.3368 | |
204 | I | A | 0.0000 | |
205 | M | A | -0.8040 | |
206 | K | A | -1.7451 | mutated: FK206A |
207 | A | A | -0.8641 | |
208 | M | A | 0.0000 | |
209 | T | A | -0.7007 | |
210 | P | A | -0.9959 | |
211 | K | A | -1.2136 | |
212 | I | A | 0.0000 | |
213 | L | A | -0.7557 | |
214 | K | A | -1.5510 | |
215 | T | A | 0.0000 | |
216 | S | A | 0.0000 | |
217 | S | A | -1.0716 | |
218 | L | A | -0.5651 | |
219 | M | A | 0.0000 | |
220 | P | A | 0.0000 | |
221 | K | A | -1.6806 | |
222 | R | A | -1.4101 | |
223 | G | A | 0.0000 | |
224 | Y | A | 0.0000 | |
225 | K | A | -2.0649 | |
226 | L | A | -1.2632 | |
227 | G | A | 0.0000 | |
228 | L | A | -1.6706 | |
229 | E | A | -2.5095 | |
230 | L | A | -1.7058 | |
231 | S | A | 0.0000 | |
232 | E | A | -2.6713 | |
233 | K | A | -2.4213 | |
234 | A | A | -1.4459 | |
235 | C | A | -0.8844 | |
236 | L | A | 0.0000 | |
237 | N | A | -2.3195 | |
238 | G | A | -2.5085 | |
239 | R | A | -3.2276 | |
240 | C | A | 0.0000 | |
241 | R | A | -2.0943 | |
242 | R | A | -1.6447 | |
243 | T | A | 0.0000 | |
244 | V | A | 0.0000 | |
245 | S | A | 0.0000 | |
246 | L | A | 0.0000 | |
247 | E | A | 0.0000 | |
248 | T | A | 0.0000 | |
249 | G | A | 0.0000 | |
250 | C | A | 0.0000 | |
251 | R | A | 0.0000 | |
252 | N | A | 0.0000 | |
253 | V | A | 0.0000 | |
254 | Q | A | -0.7980 | |
255 | L | A | 0.0000 | |
256 | C | A | 0.0000 | |
257 | S | A | -0.4655 | |
258 | T | A | -0.5686 | |
259 | I | A | 0.0000 | |
260 | L | A | 0.0000 | |
261 | N | A | -1.0102 | |
262 | V | A | -0.2370 | |
263 | A | A | 0.0000 | |
264 | F | A | 0.0000 | |
265 | P | A | -0.4494 | |
266 | P | A | -0.8114 | |
267 | E | A | -1.1558 | |
268 | V | A | 0.5435 | |
269 | I | A | 0.0000 | |
270 | G | A | 0.0561 | |
271 | P | A | 0.0616 | |
272 | L | A | 0.0000 | |
273 | F | A | 0.1807 | |
274 | F | A | 0.0000 | |
275 | F | A | 0.0000 | |
276 | P | A | 0.0000 | |
277 | L | A | -0.0022 | |
278 | L | A | 0.0000 | |
279 | Y | A | 0.0000 | |
280 | M | A | -0.5060 | |
281 | E | A | -1.4047 | |
282 | Q | A | -1.4280 | |
283 | Q | A | 0.0000 | |
284 | L | A | -1.4466 | |
285 | K | A | -3.0507 | |
286 | E | A | -2.7359 | |
287 | G | A | 0.0000 | |
288 | E | A | -3.8128 | |
289 | E | A | -3.8813 | |
290 | I | A | -2.8506 | |
291 | V | A | 0.0000 | |
292 | K | A | -4.6027 | |
293 | K | A | -4.3100 | |
294 | I | A | -3.9248 | |
295 | K | A | -4.7080 | |
296 | E | A | -5.3234 | |
297 | E | A | -5.1552 | |
298 | E | A | -4.8942 | |
299 | K | A | -5.2500 | |
300 | K | A | -5.1169 | |
301 | K | A | -4.6769 | |
302 | E | A | -4.0312 |