Chain sequence(s) |
A: NPLVSERLELSVLYKEYAEDDNIYQQKIKDLHKKYSYIRKTRPDGNCFYRAFGFSHLEALLDDSKELLQRFKAVSAKSKEDLVSQGFTEFTIEDFHNTFMDLIEQVEKQTSVADLLASFNDQSTSDYLVVYLRLLTSGYLQRRESKFFEHFIEGGRTVKEFCQQEVEPMCKKESDHIHIIALAQALSVSIQVEYMDGEGGTTNPHIFPEGSEPKVYLLYRPGHYDILYK
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | IA67A |
Energy difference between WT (input) and mutated protein (by FoldX) | 0.210494 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 (00:10:18) [INFO] FoldX: Starting FoldX energy minimalization (00:10:44) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:14:22) [CRITICAL] pyMol: Pymol encountered an error: /bin/sh: pymol: command not found Movie creation failed. (00:14:22) [INFO] Main: Simulation completed successfully. (00:14:24) |
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 | |
45 | N | A | -1.5650 | |
46 | P | A | -1.5882 | |
47 | L | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | S | A | 0.0000 | |
50 | E | A | -2.7932 | |
51 | R | A | -2.9263 | |
52 | L | A | -1.9051 | |
53 | E | A | -2.1377 | |
54 | L | A | 0.0000 | |
55 | S | A | -1.0394 | |
56 | V | A | -0.7183 | |
57 | L | A | 0.0000 | |
58 | Y | A | -0.9673 | |
59 | K | A | -1.8735 | |
60 | E | A | -1.3669 | |
61 | Y | A | -1.5055 | |
62 | A | A | -2.0914 | |
63 | E | A | -3.2908 | |
64 | D | A | -3.3400 | |
65 | D | A | -2.6415 | |
66 | N | A | -2.6449 | |
67 | A | A | -1.8740 | mutated: IA67A |
68 | Y | A | -1.6666 | |
69 | Q | A | -1.8826 | |
70 | Q | A | -1.7079 | |
71 | K | A | 0.0000 | |
72 | I | A | 0.0000 | |
73 | K | A | -2.7461 | |
74 | D | A | -2.4557 | |
75 | L | A | 0.0000 | |
76 | H | A | -2.9935 | |
77 | K | A | -3.4635 | |
78 | K | A | -3.3337 | |
79 | Y | A | 0.0000 | |
80 | S | A | -1.7901 | |
81 | Y | A | -1.4196 | |
82 | I | A | 0.0000 | |
83 | R | A | 0.0000 | |
84 | K | A | -1.3137 | |
85 | T | A | 0.0000 | |
86 | R | A | -1.2084 | |
87 | P | A | -1.0691 | |
88 | D | A | -0.7603 | |
89 | G | A | -0.7221 | |
90 | N | A | 0.0000 | |
91 | C | A | 0.0000 | |
92 | F | A | 0.0000 | |
93 | Y | A | 0.0000 | |
94 | R | A | 0.0000 | |
95 | A | A | 0.0000 | |
96 | F | A | 0.0000 | |
97 | G | A | 0.0000 | |
98 | F | A | 0.0000 | |
99 | S | A | 0.0000 | |
100 | H | A | 0.0000 | |
101 | L | A | 0.0000 | |
102 | E | A | -0.5784 | |
103 | A | A | -0.8731 | |
104 | L | A | 0.0000 | |
105 | L | A | -1.6945 | |
106 | D | A | -2.3388 | |
107 | D | A | -2.1551 | |
108 | S | A | -2.5079 | |
109 | K | A | -2.8564 | |
110 | E | A | -2.1164 | |
111 | L | A | 0.0000 | |
112 | Q | A | -2.6380 | |
113 | R | A | -1.7834 | |
114 | F | A | 0.0000 | |
115 | K | A | -1.9295 | |
116 | A | A | -0.9834 | |
117 | V | A | -0.6894 | |
118 | S | A | 0.0000 | |
119 | A | A | -1.3619 | |
120 | K | A | -2.3291 | |
121 | S | A | 0.0000 | |
122 | K | A | -2.0601 | |
123 | E | A | -2.8272 | |
124 | D | A | -1.7900 | |
125 | L | A | 0.0000 | |
126 | V | A | -0.8229 | |
127 | S | A | -1.0133 | |
128 | Q | A | -1.0633 | |
129 | G | A | -0.7588 | |
130 | F | A | -0.2532 | |
131 | T | A | -0.0237 | |
132 | E | A | -0.7204 | |
133 | F | A | 0.9562 | |
134 | T | A | 0.0588 | |
135 | I | A | 0.0000 | |
136 | E | A | -1.9599 | |
137 | D | A | -2.2133 | |
138 | F | A | -1.0804 | |
139 | H | A | 0.0000 | |
140 | N | A | -2.2615 | |
141 | T | A | -1.7124 | |
142 | F | A | 0.0000 | |
143 | M | A | -1.5607 | |
144 | D | A | -2.7613 | |
145 | L | A | 0.0000 | |
146 | I | A | 0.0000 | |
147 | E | A | -3.5444 | |
148 | Q | A | -3.0168 | |
149 | V | A | 0.0000 | |
150 | E | A | -4.0854 | |
151 | K | A | -3.5881 | |
152 | Q | A | -3.2093 | |
153 | T | A | -2.0218 | |
154 | S | A | -0.9002 | |
155 | V | A | -0.2714 | |
156 | A | A | -0.7333 | |
157 | D | A | -1.7423 | |
158 | L | A | 0.0000 | |
159 | L | A | -0.8234 | |
160 | A | A | -0.8601 | |
161 | S | A | -1.0131 | |
162 | F | A | 0.0000 | |
163 | N | A | -1.5307 | |
164 | D | A | -1.8641 | |
165 | Q | A | -1.5812 | |
166 | S | A | -0.9393 | |
167 | T | A | -0.9187 | |
168 | S | A | 0.0000 | |
169 | D | A | -0.4475 | |
170 | Y | A | -0.1513 | |
171 | L | A | 0.0000 | |
172 | V | A | 0.0000 | |
173 | V | A | 0.3772 | |
174 | Y | A | 0.0000 | |
175 | L | A | 0.0000 | |
176 | R | A | 0.0000 | |
177 | L | A | 0.0000 | |
178 | L | A | 0.0000 | |
179 | T | A | 0.0000 | |
180 | S | A | 0.0000 | |
181 | G | A | 0.0000 | |
182 | Y | A | -0.8815 | |
183 | L | A | 0.0000 | |
184 | Q | A | -2.1577 | |
185 | R | A | -2.4970 | |
186 | E | A | -1.9088 | |
187 | S | A | -2.3062 | |
188 | K | A | -2.3694 | |
189 | F | A | -0.7983 | |
190 | F | A | 0.0000 | |
191 | E | A | -2.9838 | |
192 | H | A | -1.9659 | |
193 | F | A | -0.8990 | |
194 | I | A | -1.6924 | |
195 | E | A | -2.5454 | |
196 | G | A | -1.6999 | |
197 | G | A | -1.8114 | |
198 | R | A | -2.3634 | |
199 | T | A | -2.2385 | |
200 | V | A | 0.0000 | |
201 | K | A | -3.3187 | |
202 | E | A | -2.9727 | |
203 | F | A | 0.0000 | |
204 | C | A | 0.0000 | |
205 | Q | A | -2.6948 | |
206 | Q | A | -2.4172 | |
207 | E | A | -2.1273 | |
208 | V | A | 0.0000 | |
209 | E | A | -1.1032 | |
210 | P | A | -0.8322 | |
211 | M | A | -0.1095 | |
212 | C | A | -0.1674 | |
213 | K | A | -1.5488 | |
214 | E | A | -1.4216 | |
215 | S | A | 0.0000 | |
216 | D | A | -1.4885 | |
217 | H | A | -0.9199 | |
218 | I | A | 0.0000 | |
219 | H | A | 0.0000 | |
220 | I | A | 0.0000 | |
221 | I | A | -0.2673 | |
222 | A | A | 0.0000 | |
223 | L | A | 0.0000 | |
224 | A | A | 0.0000 | |
225 | Q | A | -0.8267 | |
226 | A | A | -0.2997 | |
227 | L | A | 0.0000 | |
228 | S | A | -0.5497 | |
229 | V | A | 0.0000 | |
230 | S | A | -1.1777 | |
231 | I | A | 0.0000 | |
232 | Q | A | -0.7338 | |
233 | V | A | 0.0000 | |
234 | E | A | 0.0000 | |
235 | Y | A | -0.9823 | |
236 | M | A | 0.0000 | |
237 | D | A | -2.2485 | |
239 | G | A | -2.2255 | |
240 | E | A | -2.5694 | |
241 | G | A | -1.5121 | |
242 | G | A | -1.6037 | |
243 | T | A | -1.6862 | |
244 | T | A | -1.5952 | |
245 | N | A | -2.0082 | |
246 | P | A | -0.8251 | |
247 | H | A | -0.9312 | |
248 | I | A | -0.7289 | |
249 | F | A | 0.0000 | |
250 | P | A | -1.3875 | |
251 | E | A | -2.2332 | |
252 | G | A | -1.7061 | |
253 | S | A | -1.7949 | |
254 | E | A | -2.4288 | |
255 | P | A | -1.6719 | |
256 | K | A | -1.6133 | |
257 | V | A | 0.0000 | |
258 | Y | A | -0.3984 | |
259 | L | A | 0.0000 | |
260 | L | A | 0.0000 | |
261 | Y | A | -0.3747 | |
262 | R | A | 0.0000 | |
263 | P | A | -0.9149 | |
264 | G | A | -0.8252 | |
265 | H | A | -0.7527 | |
266 | Y | A | 0.0000 | |
267 | D | A | 0.0000 | |
268 | I | A | 0.0000 | |
269 | L | A | 0.0000 | |
270 | Y | A | -1.1938 | |
271 | K | A | -2.2044 |