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 | FA133A,IA67A,VA173A |
Energy difference between WT (input) and mutated protein (by FoldX) | 1.74207 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
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 (00:10:24) [INFO] FoldX: Starting FoldX energy minimalization (00:11:16) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:14:48) [CRITICAL] pyMol: Pymol encountered an error: /bin/sh: pymol: command not found Movie creation failed. (00:14:48) [INFO] Main: Simulation completed successfully. (00:14:50) |
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 | -2.7928 | |
51 | R | A | -2.9259 | |
52 | L | A | -1.9047 | |
53 | E | A | -2.1377 | |
54 | L | A | 0.0000 | |
55 | S | A | -1.0385 | |
56 | V | A | -0.7171 | |
57 | L | A | 0.0000 | |
58 | Y | A | -0.9645 | |
59 | K | A | -1.8722 | |
60 | E | A | -1.3660 | |
61 | Y | A | -1.5047 | |
62 | A | A | -2.0910 | |
63 | E | A | -3.2904 | |
64 | D | A | -3.3400 | |
65 | D | A | -2.6412 | |
66 | N | A | -2.6449 | |
67 | A | A | -1.8740 | mutated: IA67A |
68 | Y | A | -1.6660 | |
69 | Q | A | -1.8817 | |
70 | Q | A | -1.7074 | |
71 | K | A | 0.0000 | |
72 | I | A | 0.0000 | |
73 | K | A | -2.7449 | |
74 | D | A | -2.4537 | |
75 | L | A | 0.0000 | |
76 | H | A | -2.9928 | |
77 | K | A | -3.4629 | |
78 | K | A | -3.3333 | |
79 | Y | A | 0.0000 | |
80 | S | A | -1.7901 | |
81 | Y | A | -1.4193 | |
82 | I | A | 0.0000 | |
83 | R | A | 0.0000 | |
84 | K | A | -1.3115 | |
85 | T | A | 0.0000 | |
86 | R | A | -1.2090 | |
87 | P | A | -1.0677 | |
88 | D | A | -0.7514 | |
89 | G | A | -0.7085 | |
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 | -1.6948 | |
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 | -0.6875 | |
118 | S | A | 0.0000 | |
119 | A | A | -1.3862 | |
120 | K | A | -2.3240 | |
121 | S | A | 0.0000 | |
122 | K | A | -2.2231 | |
123 | E | A | -2.9488 | |
124 | D | A | -1.7680 | |
125 | L | A | 0.0000 | |
126 | V | A | -1.2335 | |
127 | S | A | -1.0715 | |
128 | Q | A | -1.0470 | |
129 | G | A | -0.8419 | |
130 | F | A | -0.6247 | |
131 | T | A | -0.9682 | |
132 | E | A | -2.4193 | |
133 | A | A | -1.3665 | mutated: FA133A |
134 | T | A | -1.1839 | |
135 | I | A | 0.0000 | |
136 | E | A | -3.1719 | |
137 | D | A | -2.8718 | |
138 | F | A | -1.4356 | |
139 | H | A | 0.0000 | |
140 | N | A | -2.5809 | |
141 | T | A | -1.8581 | |
142 | F | A | 0.0000 | |
143 | M | A | -1.6333 | |
144 | D | A | -2.8188 | |
145 | L | A | 0.0000 | |
146 | I | A | 0.0000 | |
147 | E | A | -3.5459 | |
148 | Q | A | -3.0198 | |
149 | V | A | 0.0000 | |
150 | E | A | -4.0864 | |
151 | K | A | -3.5892 | |
152 | Q | A | -3.2100 | |
153 | T | A | -2.0227 | |
154 | S | A | -0.9006 | |
155 | V | A | -0.2714 | |
156 | A | A | -0.7333 | |
157 | D | A | -1.7426 | |
158 | L | A | 0.0000 | |
159 | L | A | -0.8234 | |
160 | A | A | -0.8601 | |
161 | S | A | -1.0133 | |
162 | F | A | 0.0000 | |
163 | N | A | -1.5344 | |
164 | D | A | -1.8690 | |
165 | Q | A | -1.5897 | |
166 | S | A | -0.9406 | |
167 | T | A | -0.9162 | |
168 | S | A | 0.0000 | |
169 | D | A | -0.5300 | |
170 | Y | A | -0.2576 | |
171 | L | A | 0.0000 | |
172 | V | A | 0.0000 | |
173 | A | A | 0.1765 | mutated: VA173A |
174 | Y | A | 0.0000 | |
175 | L | A | 0.0000 | |
176 | R | A | 0.0000 | |
177 | L | A | -0.0120 | |
178 | L | A | 0.0000 | |
179 | T | A | 0.0000 | |
180 | S | A | 0.0000 | |
181 | G | A | 0.0000 | |
182 | Y | A | -0.8583 | |
183 | L | A | 0.0000 | |
184 | Q | A | -2.1132 | |
185 | R | A | -2.4978 | |
186 | E | A | -1.8562 | |
187 | S | A | -2.1914 | |
188 | K | A | -2.2446 | |
189 | F | A | -0.6814 | |
190 | F | A | 0.0000 | |
191 | E | A | -2.5816 | |
192 | H | A | -1.7769 | |
193 | F | A | -0.7785 | |
194 | I | A | -1.5620 | |
195 | E | A | -2.4798 | |
196 | G | A | -1.6837 | |
197 | G | A | -1.7398 | |
198 | R | A | -2.2506 | |
199 | T | A | -2.1213 | |
200 | V | A | 0.0000 | |
201 | K | A | -3.2638 | |
202 | E | A | -2.9499 | |
203 | F | A | 0.0000 | |
204 | C | A | 0.0000 | |
205 | Q | A | -2.6824 | |
206 | Q | A | -2.4085 | |
207 | E | A | -2.1235 | |
208 | V | A | 0.0000 | |
209 | E | A | -1.1134 | |
210 | P | A | -0.8331 | |
211 | M | A | -0.1089 | |
212 | C | A | -0.1378 | |
213 | K | A | -1.5321 | |
214 | E | A | -1.4114 | |
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 | -1.5119 | |
242 | G | A | -1.6031 | |
243 | T | A | -1.6857 | |
244 | T | A | -1.5948 | |
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 | -0.3750 | |
262 | R | A | 0.0000 | |
263 | P | A | -0.9149 | |
264 | G | A | -0.8251 | |
265 | H | A | -0.7530 | |
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 |