Project name: 525b08340674517

Status: done

Started: 2025-02-14 01:37:54
Settings
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
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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)
Show buried residues

Minimal score value
-2.6286
Maximal score value
3.5841
Average score
0.4584
Total score value
61.8845

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 0.7072
121 I A 1.6128
122 D A -0.4390
123 V A 1.0728
124 K A -0.3920
125 Y A 1.0196
126 I A 1.1660
127 G A 0.3476
128 V A 1.0865
129 K A -1.0082
130 S A -0.1348
131 A A 0.3619
132 Y A 1.6692
133 V A 1.7553
134 S A 0.6775
135 Y A 0.8796
136 D A -0.6818
137 V A 0.4047
138 Q A -1.8410
139 K A -2.6286
140 R A -2.2029
141 T A 0.1113
142 I A 2.4474
143 Y A 3.2414
144 L A 2.7123
145 N A 0.8940
146 I A 1.7924
147 T A 0.3077
148 N A -0.1154
149 T A 0.0782
150 L A 0.8626
151 N A -0.1160
152 I A 0.3962
153 T A -0.9180
154 N A -1.8470
155 N A -2.1131
156 N A -1.2766
157 Y A 1.0069
158 Y A 1.8926
159 S A 1.3027
160 V A 1.2901
161 E A -1.0292
162 V A 0.1657
163 E A -1.4980
164 N A -1.1923
165 I A 0.4477
166 T A 0.0371
167 A A 0.1516
168 Q A 0.1798
169 V A 1.3978
170 Q A 0.8700
171 F A 1.2809
172 S A -0.1699
173 K A -0.7442
174 T A 0.3930
175 V A 2.1946
176 I A 1.9181
177 G A -0.1709
178 K A -1.8155
179 A A -1.0838
180 R A -1.8303
181 L A -0.5369
182 N A -1.2693
183 N A -0.6909
184 I A 1.8929
185 T A 1.9766
186 I A 3.5841
187 I A 3.1832
188 G A 1.6533
189 P A 1.2828
190 L A 1.0389
191 D A -0.6052
192 M A -0.2181
193 K A -1.8296
194 Q A -1.4335
195 I A -0.0096
196 D A -0.8067
197 Y A 1.0843
198 T A 1.0045
199 V A 2.3610
200 P A 1.3416
201 T A 1.7802
202 V A 2.8509
203 I A 2.4239
204 A A 0.1313
205 E A -1.6081
206 E A -2.0721
207 M A -0.1104
208 S A 0.0850
209 Y A 1.6832
210 M A 1.5778
211 Y A 1.6988
212 D A 0.2479
213 F A 1.7584
214 C A 1.1195
215 T A 1.5095
216 L A 2.4794
217 I A 3.1629
218 S A 2.0048
219 I A 2.2202
220 K A -0.0227
221 V A 0.7841
222 H A -0.1943
223 N A -0.0772
224 I A 1.7034
225 V A 2.8030
226 L A 2.9293
227 M A 2.4074
228 M A 0.9487
229 Q A 0.4677
230 V A 1.6307
231 T A 1.2010
232 V A 2.2948
233 T A 0.7690
234 T A 0.5148
235 T A 0.7083
236 Y A 1.4199
237 F A 1.9025
238 G A 0.2495
239 H A -1.3818
240 S A -1.5663
241 E A -2.1934
242 Q A -0.7706
243 I A 0.8231
244 S A 0.0111
245 Q A -1.3224
246 E A -2.1889
247 R A -2.1667
248 Y A -0.3265
249 Q A -0.5910
250 Y A 0.9746
251 V A 0.8143
252 D A -1.0973
253 C A 0.1194
254 G A -0.5238
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Laboratory of Theory of Biopolymers 2018