Chain sequence(s) |
A: SRPGLPVEYLQVPSPSMGRDIKVQFQSGGNNSPAVYLLDGLRAQDDYNGWDINTPAFEWYYQSGLSIVMPVGGQSSFYSDWLSPACGKAGCQTYKWETFLTSELPQWLSANRAVKPTGSAAIGLSMAGSSAMILAAYHPQQFIYAGSLSALLDPSQGMGPSLIGAAMGDAGGYKAADMWGPSSDPAWERNDPTQQIPKLVANNTRLWVYCGNGTPNELGGANPAASALENLVRSSNLKFQDAYNAAGGHNAVFNFPPNGTHSWEYWGAQLNAMKGDLQSSLGAG
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | IR53A |
Energy difference between WT (input) and mutated protein (by FoldX) | -1.0581 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 (00:01:06) [INFO] FoldX: Starting FoldX energy minimalization (00:01:38) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:00) [INFO] Main: Simulation completed successfully. (00:03:02) |
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 | |
2 | S | A | -1.1236 | |
3 | R | A | -1.8223 | |
4 | P | A | -1.2046 | |
5 | G | A | -0.9101 | |
6 | L | A | -0.4173 | |
7 | P | A | -0.0322 | |
8 | V | A | 0.3078 | |
9 | E | A | -0.2256 | |
10 | Y | A | 0.1151 | |
11 | L | A | 0.0000 | |
12 | Q | A | -1.7145 | |
13 | V | A | 0.0000 | |
14 | P | A | -1.2995 | |
15 | S | A | 0.0000 | |
16 | P | A | -0.9343 | |
17 | S | A | -0.7511 | |
18 | M | A | 0.0000 | |
19 | G | A | -1.3464 | |
20 | R | A | -1.8873 | |
21 | D | A | -2.0430 | |
22 | I | A | 0.0000 | |
23 | K | A | -1.4050 | |
24 | V | A | 0.0000 | |
25 | Q | A | 0.0000 | |
26 | F | A | 0.0000 | |
27 | Q | A | 0.0000 | |
28 | S | A | -0.7837 | |
29 | G | A | -1.0924 | |
30 | G | A | -1.5505 | |
31 | N | A | -2.2983 | |
32 | N | A | -2.3763 | |
33 | S | A | 0.0000 | |
34 | P | A | 0.0000 | |
35 | A | A | 0.0000 | |
36 | V | A | 0.0000 | |
37 | Y | A | 0.0000 | |
38 | L | A | 0.0000 | |
39 | L | A | 0.0000 | |
40 | D | A | 0.0000 | |
41 | G | A | 0.0000 | |
42 | L | A | -1.1206 | |
43 | R | A | -2.5109 | |
44 | A | A | 0.0000 | |
45 | Q | A | -2.1869 | |
46 | D | A | -2.6641 | |
47 | D | A | -1.6399 | |
48 | Y | A | -0.5487 | |
49 | N | A | 0.0000 | |
50 | G | A | 0.0000 | |
51 | W | A | 0.0000 | |
52 | D | A | -0.8271 | |
53 | R | A | -1.2899 | mutated: IR53A |
54 | N | A | -1.4327 | |
55 | T | A | 0.0000 | |
56 | P | A | -0.8985 | |
57 | A | A | 0.0000 | |
58 | F | A | 0.0000 | |
59 | E | A | -0.6274 | |
60 | W | A | -0.2495 | |
61 | Y | A | 0.0000 | |
62 | Y | A | 0.0053 | |
63 | Q | A | -1.0617 | |
64 | S | A | 0.0000 | |
65 | G | A | -1.0133 | |
66 | L | A | 0.0000 | |
67 | S | A | 0.0000 | |
68 | I | A | 0.0000 | |
69 | V | A | 0.0000 | |
70 | M | A | 0.0000 | |
71 | P | A | 0.0000 | |
72 | V | A | 0.0000 | |
73 | G | A | -1.4991 | |
74 | G | A | 0.0000 | |
75 | Q | A | -1.4903 | |
76 | S | A | 0.0000 | |
77 | S | A | 0.0000 | |
78 | F | A | 0.0000 | |
79 | Y | A | 0.0000 | |
80 | S | A | 0.0000 | |
81 | D | A | -0.3929 | |
82 | W | A | 0.0000 | |
83 | L | A | 1.2359 | |
84 | S | A | 0.1766 | |
85 | P | A | -0.2670 | |
86 | A | A | 0.0000 | |
87 | C | A | -0.5359 | |
88 | G | A | -1.2846 | |
89 | K | A | -1.9287 | |
90 | A | A | -0.8631 | |
91 | G | A | -0.5712 | |
92 | C | A | 0.0382 | |
93 | Q | A | -0.6063 | |
94 | T | A | -0.4849 | |
95 | Y | A | 0.0000 | |
96 | K | A | -0.6766 | |
97 | W | A | 0.0000 | |
98 | E | A | 0.0000 | |
99 | T | A | -0.4531 | |
100 | F | A | 0.0000 | |
101 | L | A | 0.0000 | |
102 | T | A | -0.4120 | |
103 | S | A | -0.6580 | |
104 | E | A | -0.8228 | |
105 | L | A | 0.0000 | |
106 | P | A | 0.0000 | |
107 | Q | A | -1.4557 | |
108 | W | A | -0.6235 | |
109 | L | A | 0.0000 | |
110 | S | A | -1.3049 | |
111 | A | A | -0.7550 | |
112 | N | A | -1.0541 | |
113 | R | A | -1.5289 | |
114 | A | A | -1.6660 | |
115 | V | A | 0.0000 | |
116 | K | A | -1.8596 | |
117 | P | A | -1.1953 | |
118 | T | A | -0.9095 | |
119 | G | A | -0.5727 | |
120 | S | A | 0.0000 | |
121 | A | A | 0.0000 | |
122 | A | A | 0.0000 | |
123 | I | A | 0.0000 | |
124 | G | A | 0.0000 | |
125 | L | A | 0.0000 | |
126 | S | A | -0.1057 | |
127 | M | A | 0.0000 | |
128 | A | A | 0.0000 | |
129 | G | A | 0.0000 | |
130 | S | A | 0.0000 | |
131 | S | A | 0.0000 | |
132 | A | A | 0.0000 | |
133 | M | A | 0.0000 | |
134 | I | A | 0.0000 | |
135 | L | A | 0.0000 | |
136 | A | A | 0.0000 | |
137 | A | A | 0.0000 | |
138 | Y | A | -0.2976 | |
139 | H | A | -0.5793 | |
140 | P | A | -1.0091 | |
141 | Q | A | -1.4050 | |
142 | Q | A | -0.9621 | |
143 | F | A | 0.0000 | |
144 | I | A | -0.4174 | |
145 | Y | A | 0.0000 | |
146 | A | A | 0.0000 | |
147 | G | A | 0.0000 | |
148 | S | A | 0.0000 | |
149 | L | A | 0.0000 | |
150 | S | A | 0.0000 | |
151 | A | A | 0.0000 | |
152 | L | A | 0.3224 | |
153 | L | A | 0.0000 | |
154 | D | A | -1.0954 | |
155 | P | A | 0.0000 | |
156 | S | A | -1.4517 | |
157 | Q | A | -1.5937 | |
158 | G | A | -0.6004 | |
159 | M | A | 0.4855 | |
160 | G | A | 0.0000 | |
161 | P | A | -0.2279 | |
162 | S | A | 0.0262 | |
163 | L | A | 0.5025 | |
164 | I | A | 0.0000 | |
165 | G | A | -0.7084 | |
166 | A | A | -0.7296 | |
167 | A | A | -1.0319 | |
168 | M | A | 0.0000 | |
169 | G | A | -1.8487 | |
170 | D | A | -2.5275 | |
171 | A | A | 0.0000 | |
172 | G | A | -1.8447 | |
173 | G | A | -1.8707 | |
174 | Y | A | 0.0000 | |
175 | K | A | -2.0826 | |
176 | A | A | -1.0316 | |
177 | A | A | -0.6359 | |
178 | D | A | -0.3813 | |
179 | M | A | 0.0000 | |
180 | W | A | 0.0000 | |
181 | G | A | 0.0000 | |
182 | P | A | -0.8325 | |
183 | S | A | -0.9400 | |
184 | S | A | -0.8641 | |
185 | D | A | -1.2119 | |
186 | P | A | -1.2800 | |
187 | A | A | -0.9927 | |
188 | W | A | 0.0000 | |
189 | E | A | -2.3804 | |
190 | R | A | -1.9640 | |
191 | N | A | 0.0000 | |
192 | D | A | 0.0000 | |
193 | P | A | 0.0000 | |
194 | T | A | -1.2952 | |
195 | Q | A | -1.7874 | |
196 | Q | A | 0.0000 | |
197 | I | A | 0.0000 | |
198 | P | A | -1.0316 | |
199 | K | A | -1.3923 | |
200 | L | A | 0.0000 | |
201 | V | A | -1.2847 | |
202 | A | A | -0.9120 | |
203 | N | A | -1.4873 | |
204 | N | A | -1.6887 | |
205 | T | A | 0.0000 | |
206 | R | A | -1.1297 | |
207 | L | A | 0.0000 | |
208 | W | A | 0.0000 | |
209 | V | A | 0.0000 | |
210 | Y | A | 0.0000 | |
211 | C | A | 0.0000 | |
212 | G | A | 0.0000 | |
213 | N | A | -0.7393 | |
214 | G | A | 0.0000 | |
215 | T | A | -1.0646 | |
216 | P | A | -1.5751 | |
217 | N | A | -2.1931 | |
218 | E | A | -2.2632 | |
219 | L | A | -1.3248 | |
220 | G | A | -1.3131 | |
221 | G | A | -1.0837 | |
222 | A | A | -0.9239 | |
223 | N | A | -0.9432 | |
224 | P | A | -0.5295 | |
225 | A | A | -0.2619 | |
226 | A | A | 0.0000 | |
227 | S | A | -0.5136 | |
228 | A | A | -0.1384 | |
229 | L | A | 0.4022 | |
230 | E | A | 0.0000 | |
231 | N | A | -1.0033 | |
232 | L | A | 0.1533 | |
233 | V | A | 0.0000 | |
234 | R | A | 0.0000 | |
235 | S | A | -0.4205 | |
236 | S | A | -0.5762 | |
237 | N | A | 0.0000 | |
238 | L | A | -0.0006 | |
239 | K | A | -1.9620 | |
240 | F | A | 0.0000 | |
241 | Q | A | 0.0000 | |
242 | D | A | -2.4990 | |
243 | A | A | -1.7198 | |
244 | Y | A | 0.0000 | |
245 | N | A | -2.3467 | |
246 | A | A | -1.2557 | |
247 | A | A | -0.9086 | |
248 | G | A | -1.1341 | |
249 | G | A | -1.7400 | |
250 | H | A | -1.6647 | |
251 | N | A | -1.2834 | |
252 | A | A | -0.3234 | |
253 | V | A | 1.0067 | |
254 | F | A | 1.2181 | |
255 | N | A | 0.7369 | |
256 | F | A | 1.2922 | |
257 | P | A | 0.1900 | |
258 | P | A | -0.4807 | |
259 | N | A | -0.8621 | |
260 | G | A | 0.0000 | |
261 | T | A | 0.0000 | |
262 | H | A | -0.4952 | |
263 | S | A | -0.4696 | |
264 | W | A | -0.6017 | |
265 | E | A | -1.5332 | |
266 | Y | A | 0.0000 | |
267 | W | A | 0.0000 | |
268 | G | A | 0.0000 | |
269 | A | A | -0.4657 | |
270 | Q | A | 0.0000 | |
271 | L | A | 0.0000 | |
272 | N | A | -0.7267 | |
273 | A | A | -0.5692 | |
274 | M | A | 0.0000 | |
275 | K | A | -1.1066 | |
276 | G | A | -1.2246 | |
277 | D | A | -1.1675 | |
278 | L | A | 0.0000 | |
279 | Q | A | -1.1030 | |
280 | S | A | -0.9444 | |
281 | S | A | -0.6598 | |
282 | L | A | -0.4469 | |
283 | G | A | -0.7522 | |
284 | A | A | -0.9103 | |
285 | G | A | -0.8997 |