Chain sequence(s) |
A: SRPGLPVEYLQVPSPSMGRDIKVQFQSGGNNSPAVYLLDGLRAQDDYNGWDRNTPAFEWYYQSGLSIVMPVGGQSSFYSDWYSPACGKAGCQTYKWETFLTSELPQWLSANRAVKPTGSAAIGLSMAGSSAMILAAYHPQQFIYAGSLSALLDPSQGMGPSRIGLAMGDAGGYKAADMWGPSSDPAWERNDPTQQIPKLVANNTRLWVYCGNGTPNELGGANIPAEFLENFVRSSNLKFQDAYNAAGGHNAVFNFPPNGTHSWEYWGAQLNAMKGDLQSSLGAG
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | YR83A |
Energy difference between WT (input) and mutated protein (by FoldX) | 0.082809 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 (00:00:49) [INFO] FoldX: Starting FoldX energy minimalization (00:00:59) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:01:47) [INFO] Main: Simulation completed successfully. (00:01:49) |
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 | -1.1413 | |
3 | R | A | -1.7362 | |
4 | P | A | -1.1589 | |
5 | G | A | -0.9150 | |
6 | L | A | -0.4539 | |
7 | P | A | -0.0362 | |
8 | V | A | 0.3104 | |
9 | E | A | 0.0029 | |
10 | Y | A | 0.3385 | |
11 | L | A | 0.0000 | |
12 | Q | A | -1.4911 | |
13 | V | A | 0.0000 | |
14 | P | A | -1.4447 | |
15 | S | A | 0.0000 | |
16 | P | A | -0.9236 | |
17 | S | A | -0.6763 | |
18 | M | A | 0.0000 | |
19 | G | A | -1.2786 | |
20 | R | A | -1.7521 | |
21 | D | A | -2.1689 | |
22 | I | A | 0.0000 | |
23 | K | A | -1.2764 | |
24 | V | A | 0.0000 | |
25 | Q | A | 0.0000 | |
26 | F | A | 0.0000 | |
27 | Q | A | 0.0000 | |
28 | S | A | -0.7899 | |
29 | G | A | -1.0620 | |
30 | G | A | -1.5388 | |
31 | N | A | -2.2921 | |
32 | N | A | -2.3269 | |
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 | -1.0463 | |
43 | R | A | -2.4526 | |
44 | A | A | 0.0000 | |
45 | Q | A | -2.2012 | |
46 | D | A | -2.7397 | |
47 | D | A | -1.7555 | |
48 | Y | A | -0.5105 | |
49 | N | A | 0.0000 | |
50 | G | A | 0.0000 | |
51 | W | A | 0.0000 | |
52 | D | A | -0.8557 | |
53 | R | A | -1.2222 | |
54 | N | A | -1.5042 | |
55 | T | A | 0.0000 | |
56 | P | A | -1.0896 | |
57 | A | A | 0.0000 | |
58 | F | A | 0.0000 | |
59 | E | A | -1.1438 | |
60 | W | A | -0.6440 | |
61 | Y | A | 0.0000 | |
62 | Y | A | -0.1773 | |
63 | Q | A | -1.1324 | |
64 | S | A | 0.0000 | |
65 | G | A | -1.0009 | |
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 | 0.0000 | |
74 | G | A | 0.0000 | |
75 | Q | A | -1.3549 | |
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 | -1.0976 | |
82 | W | A | 0.0000 | |
83 | R | A | -2.1658 | mutated: YR83A |
84 | S | A | -1.5048 | |
85 | P | A | -0.8919 | |
86 | A | A | 0.0000 | |
87 | C | A | -0.4230 | |
88 | G | A | -1.1436 | |
89 | K | A | -1.8660 | |
90 | A | A | -0.7894 | |
91 | G | A | -0.4389 | |
92 | C | A | 0.1984 | |
93 | Q | A | -0.3458 | |
94 | T | A | -0.7068 | |
95 | Y | A | 0.0000 | |
96 | K | A | -1.1267 | |
97 | W | A | 0.0000 | |
98 | E | A | 0.0000 | |
99 | T | A | -0.4088 | |
100 | F | A | 0.0000 | |
101 | L | A | 0.0000 | |
102 | T | A | -0.3468 | |
103 | S | A | -0.5989 | |
104 | E | A | -0.7300 | |
105 | L | A | 0.0000 | |
106 | P | A | 0.0000 | |
107 | Q | A | -1.5278 | |
108 | W | A | -0.8966 | |
109 | L | A | 0.0000 | |
110 | S | A | -1.4123 | |
111 | A | A | -0.9024 | |
112 | N | A | -1.2816 | |
113 | R | A | -1.7568 | |
114 | A | A | -1.7492 | |
115 | V | A | 0.0000 | |
116 | K | A | -1.6631 | |
117 | P | A | -1.0895 | |
118 | T | A | -0.7296 | |
119 | G | A | -0.4000 | |
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 | -0.1265 | |
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 | -0.2475 | |
139 | H | A | -0.5066 | |
140 | P | A | -0.8636 | |
141 | Q | A | -1.2419 | |
142 | Q | A | 0.0000 | |
143 | F | A | 0.0000 | |
144 | I | A | -0.0728 | |
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 | 0.0617 | |
153 | L | A | 0.0000 | |
154 | D | A | -1.1478 | |
155 | P | A | 0.0000 | |
156 | S | A | -1.3297 | |
157 | Q | A | -1.5978 | |
158 | G | A | -0.8541 | |
159 | M | A | -0.1083 | |
160 | G | A | 0.0000 | |
161 | P | A | -0.4090 | |
162 | S | A | -0.1597 | |
163 | R | A | 0.0077 | |
164 | I | A | 0.0000 | |
165 | G | A | -0.2682 | |
166 | L | A | 0.4884 | |
167 | A | A | -0.4803 | |
168 | M | A | 0.0000 | |
169 | G | A | -1.2669 | |
170 | D | A | -2.0562 | |
171 | A | A | 0.0000 | |
172 | G | A | -1.7271 | |
173 | G | A | -1.5468 | |
174 | Y | A | -1.2810 | |
175 | K | A | -1.7777 | |
176 | A | A | -0.8604 | |
177 | A | A | -1.1168 | |
178 | D | A | -1.3007 | |
179 | M | A | 0.0000 | |
180 | W | A | 0.0000 | |
181 | G | A | -1.0797 | |
182 | P | A | -0.8263 | |
183 | S | A | -0.9061 | |
184 | S | A | -0.7911 | |
185 | D | A | -1.0278 | |
186 | P | A | -1.0004 | |
187 | A | A | 0.0000 | |
188 | W | A | 0.0000 | |
189 | E | A | -1.8012 | |
190 | R | A | -1.2966 | |
191 | N | A | 0.0000 | |
192 | D | A | 0.0000 | |
193 | P | A | 0.0000 | |
194 | T | A | -1.2915 | |
195 | Q | A | -1.7736 | |
196 | Q | A | 0.0000 | |
197 | I | A | 0.0000 | |
198 | P | A | -0.9979 | |
199 | K | A | -1.2753 | |
200 | L | A | 0.0000 | |
201 | V | A | -1.1604 | |
202 | A | A | -0.8889 | |
203 | N | A | -1.4230 | |
204 | N | A | -1.5713 | |
205 | T | A | 0.0000 | |
206 | R | A | -0.6271 | |
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 | -0.7797 | |
214 | G | A | 0.0000 | |
215 | T | A | -0.6251 | |
216 | P | A | -1.3570 | |
217 | N | A | -1.7385 | |
218 | E | A | -1.9550 | |
219 | L | A | -0.7615 | |
220 | G | A | -0.9545 | |
221 | G | A | -0.7030 | |
222 | A | A | -0.5048 | |
223 | N | A | 0.1256 | |
224 | I | A | 1.8434 | |
225 | P | A | 0.9019 | |
226 | A | A | 0.0000 | |
227 | E | A | 0.4247 | |
228 | F | A | 1.8690 | |
229 | L | A | 1.1557 | |
230 | E | A | 0.0000 | |
231 | N | A | -0.7009 | |
232 | F | A | 0.3758 | |
233 | V | A | 0.0000 | |
234 | R | A | -0.6094 | |
235 | S | A | -0.6894 | |
236 | S | A | 0.0000 | |
237 | N | A | 0.0000 | |
238 | L | A | -0.6644 | |
239 | K | A | -2.0480 | |
240 | F | A | 0.0000 | |
241 | Q | A | -1.6698 | |
242 | D | A | -2.6544 | |
243 | A | A | -1.8087 | |
244 | Y | A | 0.0000 | |
245 | N | A | -2.3014 | |
246 | A | A | -1.2579 | |
247 | A | A | -0.9077 | |
248 | G | A | -1.0767 | |
249 | G | A | -1.6796 | |
250 | H | A | -1.6332 | |
251 | N | A | -1.1722 | |
252 | A | A | -0.5411 | |
253 | V | A | 0.2251 | |
254 | F | A | 0.5039 | |
255 | N | A | 0.0932 | |
256 | F | A | 0.1294 | |
257 | P | A | -0.2878 | |
258 | P | A | -0.6362 | |
259 | N | A | -0.9261 | |
260 | G | A | 0.0000 | |
261 | T | A | 0.0000 | |
262 | H | A | -0.1760 | |
263 | S | A | -0.5333 | |
264 | W | A | -0.5884 | |
265 | E | A | -0.9130 | |
266 | Y | A | 0.0000 | |
267 | W | A | 0.0000 | |
268 | G | A | 0.0000 | |
269 | A | A | -0.4457 | |
270 | Q | A | -0.5857 | |
271 | L | A | 0.0000 | |
272 | N | A | -1.0527 | |
273 | A | A | -0.7019 | |
274 | M | A | 0.0000 | |
275 | K | A | -1.1682 | |
276 | G | A | -1.1736 | |
277 | D | A | -0.8918 | |
278 | L | A | 0.0000 | |
279 | Q | A | -1.0130 | |
280 | S | A | -0.8605 | |
281 | S | A | -0.4860 | |
282 | L | A | -0.3354 | |
283 | G | A | -0.7216 | |
284 | A | A | -0.8849 | |
285 | G | A | -0.9023 |