Project name: apa

Status: done

Started: 2025-06-29 15:48:04
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Chain sequence(s) A: PVRIDNPVGGFSFALPAGWVESDDAAHFDYGSSALLSKTTGDPPFPGQPPPVANNDTRRIVVLGRLDDQQKKLLYYATDSKAAARLGSDMGEFYMPYPGTRINQETTVSLDANGVSGSASYYEVKFSDPSKPNGQIWTGVIGSPPQQRWFVVWLLGTANNPVDKGAAKALAESIRRPLV
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]                                                (00:00:01)
[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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)
Show buried residues

Minimal score value
-2.6094
Maximal score value
1.9139
Average score
-0.6422
Total score value
-105.9609

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
110 P A 0.3831
111 V A 1.2251
112 R A -0.5897
113 I A -0.7176
114 D A -1.7411
115 N A 0.0000
116 P A 0.2888
117 V A 1.2328
118 G A 0.0000
119 G A 0.2628
120 F A 0.0000
121 S A 0.0000
122 F A 0.0000
123 A A -0.1494
124 L A 0.3821
125 P A 0.1381
126 A A 0.0963
127 G A -0.4008
128 W A 0.0000
129 V A -0.2165
130 E A -1.4983
131 S A -1.4613
132 D A -2.0334
133 A A -1.3461
134 A A -0.8131
135 H A -0.6010
136 F A -0.3064
137 D A -0.6740
138 Y A 0.8548
139 G A 0.0000
140 S A 0.0000
141 A A 0.0000
142 L A 0.0000
143 L A 0.0000
144 S A -1.0187
145 K A -0.9467
146 T A -0.7515
147 T A -0.8872
148 G A -1.3683
149 D A -1.9877
150 P A -1.1088
151 P A -0.3876
152 F A 0.9595
153 P A -0.0340
154 G A -0.7536
155 Q A -1.1065
156 P A -0.6285
157 P A -0.6031
158 P A -0.7047
159 V A -0.0515
160 A A -0.7613
161 N A -1.4944
162 D A -1.3732
163 T A 0.0000
164 R A -1.0148
165 I A 0.0000
166 V A 0.0000
167 L A 0.0000
168 G A 0.0000
169 R A -0.5796
170 L A 0.0000
171 D A -1.5741
172 Q A -2.1901
173 K A -1.9455
174 L A -0.3157
175 Y A -0.3415
180 A A -0.4093
181 T A -0.6715
182 D A -1.3036
183 S A -1.2215
184 K A -1.6573
185 A A 0.0000
186 A A 0.0000
187 A A -1.4304
188 R A -2.2557
189 L A 0.0000
190 G A 0.0000
191 S A -1.3975
192 D A -1.7710
193 M A -0.5776
194 G A 0.0000
195 E A -1.1225
196 F A 0.9331
197 Y A 0.6114
198 M A 0.1410
199 P A 0.0029
200 Y A 0.4882
201 P A -0.5808
202 G A -1.2006
203 T A -1.1560
204 R A -1.9274
205 I A -1.7312
206 N A -2.3958
207 Q A -2.6094
208 E A -2.1178
209 T A -0.9142
210 V A -0.6221
211 S A -0.7508
212 L A 0.0000
213 D A -2.5579
214 A A 0.0000
215 N A -2.1962
216 G A -1.6822
217 V A -1.3993
218 S A -1.5369
219 G A 0.0000
220 S A 0.0000
221 A A 0.0000
222 S A -0.9746
223 Y A 0.0000
224 Y A 0.0000
225 E A -1.6569
226 V A 0.0000
227 K A -2.2636
228 F A -1.4303
229 S A -1.1407
230 D A -1.4955
231 P A -1.2090
232 S A -0.9194
233 K A -1.1240
234 P A -1.2785
235 N A -1.4687
236 G A 0.0000
237 Q A -1.0046
238 I A 0.0000
239 W A 0.0000
240 T A 0.0000
241 G A 0.0000
242 V A 0.0000
243 I A 0.0000
244 G A -0.9332
245 S A -0.7508
246 P A -0.5158
256 P A -0.8137
257 Q A -1.1684
258 R A -1.1239
259 W A 0.0000
260 F A -0.0610
261 V A 0.0000
262 V A 0.0000
263 W A 0.0000
264 L A -0.3542
265 G A 0.0000
266 T A -0.8669
267 A A -1.1134
268 N A -1.5347
269 N A -1.5125
270 P A -1.3282
271 V A 0.0000
272 D A -2.4063
273 K A -1.9951
274 G A -1.5537
275 A A -1.2675
276 A A 0.0000
277 K A -1.5483
278 A A -1.0167
279 L A 0.0000
280 A A 0.0000
281 E A -1.6084
282 S A -1.0516
283 I A 0.0000
284 R A -0.7766
285 P A 0.0442
286 L A 1.0215
287 V A 1.9139
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Laboratory of Theory of Biopolymers 2018