Project name: 525b08340674517 [mutate: QK194A]

Status: done

Started: 2025-02-14 01:41:17
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Chain sequence(s) A: SIDVKYIGVKSAYVSYDVQKRTIYLNITNTLNITNNNYYSVEVENITAQVQFSKTVIGKARLNNITIIGPLDMKQIDYTVPTVIAEEMSYMYDFCTLISIKVHNIVLMMQVTVTTTYFGHSEQISQERYQYVDCG
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues QK194A
Energy difference between WT (input) and mutated protein (by FoldX) 0.189522 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                                                       (00:00:19)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:27)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)
Show buried residues

Minimal score value
-2.6304
Maximal score value
3.5792
Average score
0.4574
Total score value
61.7535

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
mutation
120 S A 0.7129
121 I A 1.6203
122 D A -0.4390
123 V A 1.0780
124 K A -0.3842
125 Y A 1.0203
126 I A 1.1694
127 G A 0.3492
128 V A 1.0873
129 K A -1.0079
130 S A -0.1117
131 A A 0.4177
132 Y A 1.7606
133 V A 1.9434
134 S A 0.7700
135 Y A 0.9331
136 D A -0.6621
137 V A 0.3826
138 Q A -1.8454
139 K A -2.6304
140 R A -2.2135
141 T A 0.0863
142 I A 2.4013
143 Y A 3.1340
144 L A 2.6502
145 N A 0.8526
146 I A 1.7369
147 T A 0.3242
148 N A -0.0691
149 T A 0.0468
150 L A 0.8022
151 N A -0.1070
152 I A 0.5441
153 T A -0.8379
154 N A -1.8050
155 N A -2.0948
156 N A -1.2766
157 Y A 1.0136
158 Y A 1.9097
159 S A 1.3298
160 V A 1.3453
161 E A -1.0025
162 V A 0.1785
163 E A -1.5001
164 N A -1.2085
165 I A 0.4145
166 T A 0.0209
167 A A 0.1420
168 Q A 0.1652
169 V A 1.3790
170 Q A 0.8219
171 F A 1.2620
172 S A -0.1787
173 K A -0.7442
174 T A 0.3930
175 V A 2.1946
176 I A 1.9169
177 G A -0.1726
178 K A -1.7837
179 A A -1.0044
180 R A -1.6684
181 L A -0.2017
182 N A -1.1054
183 N A -0.6162
184 I A 1.9546
185 T A 1.9743
186 I A 3.5792
187 I A 3.2976
188 G A 1.7874
189 P A 1.4190
190 L A 1.3463
191 D A 0.0360
192 M A -0.0517
193 K A -1.9297
194 K A -1.9408 mutated: QK194A
195 I A -0.2535
196 D A -0.9340
197 Y A 1.0236
198 T A 1.0029
199 V A 2.3543
200 P A 1.3409
201 T A 1.7802
202 V A 2.8509
203 I A 2.4239
204 A A 0.1313
205 E A -1.6116
206 E A -2.0721
207 M A -0.1104
208 S A 0.0799
209 Y A 1.6726
210 M A 1.5560
211 Y A 1.6882
212 D A 0.2365
213 F A 1.7508
214 C A 1.1042
215 T A 1.4826
216 L A 2.4232
217 I A 3.1266
218 S A 1.9705
219 I A 2.1791
220 K A -0.0428
221 V A 0.7656
222 H A -0.2185
223 N A -0.1195
224 I A 1.6142
225 V A 2.7345
226 L A 2.8225
227 M A 2.3044
228 M A 0.7874
229 Q A 0.3232
230 V A 1.5402
231 T A 1.1514
232 V A 2.2756
233 T A 0.7576
234 T A 0.4815
235 T A 0.6610
236 Y A 1.3293
237 F A 1.8452
238 G A 0.1927
239 H A -1.4209
240 S A -1.6313
241 E A -2.2186
242 Q A -0.7989
243 I A 0.8340
244 S A -0.0081
245 Q A -1.3328
246 E A -2.2729
247 R A -2.2103
248 Y A -0.3528
249 Q A -0.6057
250 Y A 0.9698
251 V A 0.7986
252 D A -1.1021
253 C A 0.1168
254 G A -0.5249
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Laboratory of Theory of Biopolymers 2018