Project name: p53_human

Status: done

Started: 2026-04-22 13:14:48
Chain sequence(s) A: MEEPQSDPSVEPPLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPDEAPRMPEAAPPVAPAPAAPTPAAPAPAPSWPLSSSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKMFCQLAKTCPVQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLIRVEGNLRVEYLDDRNTFRHSVVVPYEPPEVGSDCTTIHYNYMCNSSCMGGMNRRPILTIITLEDSSGNLLGRNSFEVRVCACPGRDRRTEEENLRKKGEPHHELPPGSTKRALPNNTSSSPQPKKKPLDGEYFTLQIRGRERFEMFRELNEALELKDAQAGKEPGGSRAHSSHLKSKKGQSTSRHKKLMFKTEGPDSD
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage A: MEEPQSDPSVEPPLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWF

TEDPGPDEAPRMPEAAPPVAPAPAAPTPAAPAPAPS

WPLSSSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKMFCQLAKTCPVQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLIRVEGNLRVEYLDDRNTFRHSVVVPYEPPEVGSDCTTIHYNYMCNSSCMGGMNRRPILTIITLEDSSGNLLGRNSFEVRVCACPGRDRRTEEENLRKKGEP

HHELPPGSTKRALPNNTSSSPQPKKKPLDGEYFTLQIRGRERFEMFRELNEALELKDAQAGKEPGGSRAHSSHLKSKKGQSTSRHKKLMFKTEGPDSD


(Red indicates removed residues)
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log 
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       PDB:      Running AlphaCutter                                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:18)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:04:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:41)
Show buried residues
Minimal score value
-4.4214
Maximal score value
2.0521
Average score
-0.6926
Total score value
-179.3879
Download the table (csv)

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 M A -0.2343
2 E A -2.3692
3 E A -2.9120
4 P A -2.3862
5 Q A -2.4805
6 S A -1.9835
7 D A -2.1242
8 P A -1.1822
9 S A -0.4104
10 V A 0.3981
11 E A -1.0196
12 P A -0.4735
13 P A -0.0291
14 L A 0.6746
15 S A -0.4748
16 Q A -1.4765
17 E A -2.0585
18 T A -0.5732
19 F A 0.3307
20 S A -0.5833
21 D A -1.0301
22 L A 1.0161
23 W A 1.4008
24 K A -0.4118
25 L A 1.3772
26 L A 1.1809
27 P A -0.5896
28 E A -2.1553
29 N A -1.9556
30 N A -1.0000
31 V A 1.1090
32 L A 1.9491
33 S A 1.0429
34 P A 0.9261
35 L A 1.2535
36 P A -0.0105
37 S A -0.4468
38 Q A -1.1760
39 A A -0.9089
40 M A -0.3476
41 D A -1.7334
42 D A -1.0831
43 L A 1.3688
44 M A 1.6734
45 L A 1.6149
46 S A 0.0519
47 P A -1.0054
48 D A -2.5762
49 D A -2.2051
50 I A -0.1019
51 E A -1.6467
52 Q A -0.9319
53 W A 1.3061
54 F A 2.0521
91 W A 1.6313
92 P A 1.1727
93 L A 1.6369
94 S A 0.6419
95 S A 0.2676
96 S A 0.0655
97 V A 0.7131
98 P A 0.0087
99 S A -0.7848
100 Q A -1.4597
101 K A -1.9929
102 T A -1.0118
103 Y A -0.1011
104 Q A -0.6298
105 G A -0.0433
106 S A -0.3727
107 Y A -0.6225
108 G A -0.7777
109 F A 0.0000
110 R A -0.7825
111 L A -0.1898
112 G A 0.1457
113 F A 0.5416
114 L A 0.9522
115 H A -0.3854
116 S A -0.2304
117 G A -0.7125
118 T A -1.2722
119 A A -1.2796
120 K A -2.0692
121 S A -1.0682
122 V A -0.6086
123 T A -0.3926
124 C A 0.0032
125 T A 0.0000
126 Y A 0.0137
127 S A 0.0000
128 P A -0.5086
129 A A -0.3200
130 L A -0.1663
131 N A -0.7046
132 K A 0.0000
133 M A 0.0000
134 F A 0.0000
135 C A 0.0000
136 Q A -0.4379
137 L A -0.1863
138 A A -0.5704
139 K A -1.0601
140 T A -0.8417
141 C A 0.0000
142 P A -0.2035
143 V A 0.0000
144 Q A -0.1867
145 L A 0.0000
146 W A -0.6960
147 V A -1.0638
148 D A -2.0575
149 S A -1.0022
150 T A -0.7019
151 P A 0.0000
152 P A -0.4584
153 P A -0.8271
154 G A -1.0457
155 T A 0.0000
156 R A -1.0272
157 V A 0.0000
158 R A -0.4961
159 A A 0.0000
160 M A 0.0828
161 A A -0.0728
162 I A 0.0000
163 Y A 0.0000
164 K A -1.2784
165 Q A -1.4251
166 S A -1.2297
167 Q A -1.6882
168 H A -1.3166
169 M A -0.6368
170 T A -0.1305
171 E A -0.1780
172 V A 0.0000
173 V A 0.0000
174 R A -0.5086
175 R A 0.0000
176 C A 0.0000
177 P A -1.2325
178 H A -1.6405
179 H A -1.7745
180 E A -2.0598
181 R A -2.5606
182 C A -1.4862
183 S A -1.7372
184 D A -2.6273
185 S A -2.0703
186 D A -2.2563
187 G A -1.2264
188 L A 0.0591
189 A A 0.0000
190 P A -0.4749
191 P A -1.2707
192 Q A -0.9659
193 H A 0.0000
194 L A 0.0000
195 I A 0.0000
196 R A 0.0000
197 V A 0.0000
198 E A -1.5823
199 G A -1.1203
200 N A -0.9257
201 L A 0.1377
202 R A -1.6726
203 V A 0.0000
204 E A -1.9390
205 Y A -1.0500
206 L A -1.1540
207 D A -2.5130
208 D A -2.6655
209 R A -3.0817
210 N A -2.5067
211 T A -1.3918
212 F A -0.7977
213 R A 0.0000
214 H A -0.8407
215 S A -0.6028
216 V A 0.0000
217 V A 0.0000
218 V A 0.0000
219 P A -1.4352
220 Y A -1.0156
221 E A -1.9471
222 P A -1.3941
223 P A -1.5519
224 E A -1.7346
225 V A 0.3265
226 G A -0.5464
227 S A -1.2675
228 D A -2.1765
229 C A 0.0000
230 T A 0.0000
231 T A -0.5803
232 I A 0.0000
233 H A -1.1607
234 Y A 0.0000
235 N A -0.7319
236 Y A 0.0000
237 M A 0.0000
238 C A 0.0000
239 N A -0.6149
240 S A 0.0000
241 S A -1.2078
242 C A -0.5278
243 M A 0.0565
244 G A -0.3783
245 G A 0.0000
246 M A 0.0000
247 N A -1.5749
248 R A -2.3850
249 R A -1.8107
250 P A -1.3245
251 I A 0.0000
252 L A 0.0000
253 T A 0.0000
254 I A 0.0000
255 I A 0.0000
256 T A 0.0000
257 L A 0.0000
258 E A 0.0000
259 D A -1.0451
260 S A -1.0367
261 S A -0.9537
262 G A -1.0529
263 N A -1.2799
264 L A -0.0615
265 L A 0.0241
266 G A 0.0000
267 R A -0.5942
268 N A -0.8158
269 S A -0.7163
270 F A 0.0000
271 E A -0.5753
272 V A 0.0000
273 R A -1.0227
274 V A 0.0000
275 C A 0.0000
276 A A -0.3616
277 C A -0.7720
278 P A 0.0000
279 G A 0.0000
280 R A -2.3889
281 D A 0.0000
282 R A -1.7550
283 R A -2.2711
284 T A -1.9328
285 E A -1.9918
286 E A -2.2877
287 E A -2.7775
288 N A -2.7918
289 L A -2.2981
290 R A -4.0895
291 K A -4.4214
292 K A -3.8612
293 G A -3.3217
294 E A -3.5843
295 P A -2.0409
Download PDB file
View in 3Dmol