Chain sequence(s) |
A: NPLVSERLELSVLYKEYAEDDNAYQQKIKDLHKKYSYIRKTRPDGNCFYRAFGFSHLEALLDDSKELQRFKAVSAKSKEDLVSQGFTEATIEDFHNTFMDLIEQVEKQTSVADLLASFNDQSTSDYLVSYLRLLTSGYLQRESKFFEHFIEGGRTVKEFCQQEVEPMCKESDHIHIIALAQALSVSIQVEYMDGEGGTTNPHIFPEGSEPKVYLLYRPGHYDILYK
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | SD173A |
Energy difference between WT (input) and mutated protein (by FoldX) | 0.565105 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 (00:02:32) [INFO] FoldX: Starting FoldX energy minimalization (00:02:37) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:10) [CRITICAL] pyMol: Pymol encountered an error: /bin/sh: pymol: command not found Movie creation failed. (00:05:10) [INFO] Main: Simulation completed successfully. (00:05:12) |
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 | -1.5672 | |
46 | P | A | -1.5816 | |
47 | L | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | S | A | 0.0000 | |
50 | E | A | -2.7911 | |
51 | R | A | -2.9272 | |
52 | L | A | -1.9089 | |
53 | E | A | -2.1412 | |
54 | L | A | 0.0000 | |
55 | S | A | -1.0421 | |
56 | V | A | -0.7277 | |
57 | L | A | 0.0000 | |
58 | Y | A | -0.9672 | |
59 | K | A | -1.8749 | |
60 | E | A | -1.3680 | |
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 | |
68 | Y | A | -1.6658 | |
69 | Q | A | -1.8812 | |
70 | Q | A | -1.7069 | |
71 | K | A | 0.0000 | |
72 | I | A | 0.0000 | |
73 | K | A | -2.7436 | |
74 | D | A | -2.4517 | |
75 | L | A | 0.0000 | |
76 | H | A | -2.9922 | |
77 | K | A | -3.4622 | |
78 | K | A | -3.3328 | |
79 | Y | A | 0.0000 | |
80 | S | A | -1.7902 | |
81 | Y | A | -1.4223 | |
82 | I | A | 0.0000 | |
83 | R | A | 0.0000 | |
84 | K | A | -1.3180 | |
85 | T | A | 0.0000 | |
86 | R | A | -1.2189 | |
87 | P | A | -1.0822 | |
88 | D | A | -0.7582 | |
89 | G | A | -0.7063 | |
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 | -0.5726 | |
103 | A | A | -0.8836 | |
104 | L | A | 0.0000 | |
105 | L | A | -1.6854 | |
106 | D | A | -2.3306 | |
107 | D | A | -2.1411 | |
108 | S | A | -2.5035 | |
109 | K | A | -2.8550 | |
110 | E | A | -2.1193 | |
111 | L | A | 0.0000 | |
112 | Q | A | -2.6350 | |
113 | R | A | -1.7864 | |
114 | F | A | 0.0000 | |
115 | K | A | -1.9078 | |
116 | A | A | -0.9805 | |
117 | V | A | -0.6920 | |
118 | S | A | 0.0000 | |
119 | A | A | -1.3821 | |
120 | K | A | -2.3214 | |
121 | S | A | 0.0000 | |
122 | K | A | -2.2619 | |
123 | E | A | -2.9564 | |
124 | D | A | -1.7582 | |
125 | L | A | 0.0000 | |
126 | V | A | -1.2523 | |
127 | S | A | -1.0774 | |
128 | Q | A | -1.0507 | |
129 | G | A | -0.8513 | |
130 | F | A | -0.6642 | |
131 | T | A | -1.0008 | |
132 | E | A | -2.4851 | |
133 | A | A | -1.4087 | |
134 | T | A | -1.2199 | |
135 | I | A | 0.0000 | |
136 | E | A | -3.2372 | |
137 | D | A | -2.9212 | |
138 | F | A | -1.5900 | |
139 | H | A | 0.0000 | |
140 | N | A | -2.6077 | |
141 | T | A | -1.8792 | |
142 | F | A | 0.0000 | |
143 | M | A | -1.6260 | |
144 | D | A | -2.8096 | |
145 | L | A | 0.0000 | |
146 | I | A | 0.0000 | |
147 | E | A | -3.5036 | |
148 | Q | A | -2.9970 | |
149 | V | A | 0.0000 | |
150 | E | A | -4.0681 | |
151 | K | A | -3.5777 | |
152 | Q | A | -3.2006 | |
153 | T | A | -2.0106 | |
154 | S | A | -0.8889 | |
155 | V | A | -0.2489 | |
156 | A | A | -0.7226 | |
157 | D | A | -1.7333 | |
158 | L | A | 0.0000 | |
159 | L | A | -0.8102 | |
160 | A | A | -0.8509 | |
161 | S | A | -0.9994 | |
162 | F | A | 0.0000 | |
163 | N | A | -1.5102 | |
164 | D | A | -1.8451 | |
165 | Q | A | -1.5508 | |
166 | S | A | -0.9315 | |
167 | T | A | -0.9149 | |
168 | S | A | 0.0000 | |
169 | D | A | -0.6285 | |
170 | Y | A | -0.3813 | |
171 | L | A | 0.0000 | |
172 | V | A | 0.0000 | |
173 | D | A | -0.1627 | mutated: SD173A |
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 | -0.8808 | |
183 | L | A | 0.0000 | |
184 | Q | A | -2.1177 | |
185 | R | A | -2.4982 | |
186 | E | A | -1.8544 | |
187 | S | A | -2.1929 | |
188 | K | A | -2.2489 | |
189 | F | A | -0.6916 | |
190 | F | A | 0.0000 | |
191 | E | A | -2.5805 | |
192 | H | A | -1.7797 | |
193 | F | A | -0.7815 | |
194 | I | A | -1.5559 | |
195 | E | A | -2.4737 | |
196 | G | A | -1.6745 | |
197 | G | A | -1.7257 | |
198 | R | A | -2.2289 | |
199 | T | A | -2.1128 | |
200 | V | A | 0.0000 | |
201 | K | A | -3.2779 | |
202 | E | A | -2.9783 | |
203 | F | A | 0.0000 | |
204 | C | A | 0.0000 | |
205 | Q | A | -2.7129 | |
206 | Q | A | -2.4482 | |
207 | E | A | -2.1330 | |
208 | V | A | 0.0000 | |
209 | E | A | -1.1609 | |
210 | P | A | -0.8885 | |
211 | M | A | -0.1927 | |
212 | C | A | -0.1299 | |
213 | K | A | -1.4962 | |
214 | E | A | -1.4002 | |
215 | S | A | 0.0000 | |
216 | D | A | -1.4879 | |
217 | H | A | -0.9356 | |
218 | I | A | 0.0000 | |
219 | H | A | 0.0000 | |
220 | I | A | 0.0000 | |
221 | I | A | -0.2694 | |
222 | A | A | 0.0000 | |
223 | L | A | 0.0000 | |
224 | A | A | 0.0000 | |
225 | Q | A | -0.8277 | |
226 | A | A | -0.3021 | |
227 | L | A | 0.0000 | |
228 | S | A | -0.5518 | |
229 | V | A | 0.0000 | |
230 | S | A | -1.1892 | |
231 | I | A | 0.0000 | |
232 | Q | A | -0.7482 | |
233 | V | A | 0.0000 | |
234 | E | A | 0.0000 | |
235 | Y | A | -0.9104 | |
236 | M | A | 0.0000 | |
237 | D | A | -2.2155 | |
239 | G | A | -2.1657 | |
240 | E | A | -2.5372 | |
241 | G | A | -1.5117 | |
242 | G | A | -1.5763 | |
243 | T | A | -1.6185 | |
244 | T | A | -1.4847 | |
245 | N | A | -1.7864 | |
246 | P | A | -0.7212 | |
247 | H | A | -0.9202 | |
248 | I | A | -0.7187 | |
249 | F | A | 0.0000 | |
250 | P | A | -1.3840 | |
251 | E | A | -2.2321 | |
252 | G | A | -1.6976 | |
253 | S | A | -1.7949 | |
254 | E | A | -2.4407 | |
255 | P | A | -1.7032 | |
256 | K | A | -1.6955 | |
257 | V | A | 0.0000 | |
258 | Y | A | -0.4177 | |
259 | L | A | 0.0000 | |
260 | L | A | 0.0000 | |
261 | Y | A | -0.3716 | |
262 | R | A | 0.0000 | |
263 | P | A | -0.9163 | |
264 | G | A | -0.8315 | |
265 | H | A | -0.7583 | |
266 | Y | A | 0.0000 | |
267 | D | A | 0.0000 | |
268 | I | A | 0.0000 | |
269 | L | A | 0.0000 | |
270 | Y | A | -1.2002 | |
271 | K | A | -2.2033 |