Project name: 8746ca5ddd28839

Status: done

Started: 2025-02-12 08:12:39
Settings
Chain sequence(s) A: KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTRITK
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                                          (00:06:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:43)
Show buried residues

Minimal score value
-4.2307
Maximal score value
0.6916
Average score
-1.0095
Total score value
-372.5213

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
1 K A -1.2319
2 I A 0.4205
3 E A 0.0000
4 E A -1.8324
5 G A -1.5251
6 K A -1.6065
7 L A 0.0000
8 V A -0.3326
9 I A 0.0000
10 W A 0.0000
11 I A 0.0000
12 N A -1.4145
13 G A -1.3755
14 D A -0.7618
15 K A -0.9145
16 G A 0.0000
17 Y A -1.1202
18 N A -1.9866
19 G A 0.0000
20 L A 0.0000
21 A A -1.5963
22 E A -2.5619
23 V A 0.0000
24 G A 0.0000
25 K A -3.8267
26 K A -3.7004
27 F A 0.0000
28 E A -3.7466
29 K A -4.0917
30 D A -3.6694
31 T A -2.4440
32 G A -2.3532
33 I A -2.0721
34 K A -2.9130
35 V A -1.3512
36 T A -0.5227
37 V A -0.4551
38 E A -1.3241
39 H A -1.7598
40 P A -2.1191
41 D A -3.1768
42 K A -3.1863
43 L A 0.0000
44 E A -1.7830
45 E A -2.1505
46 K A -2.2493
47 F A 0.0000
48 P A -1.1710
49 Q A -1.5910
50 V A -0.8007
51 A A 0.0000
52 A A -0.8192
53 T A -0.5536
54 G A -0.8222
55 D A -0.8026
56 G A -0.5026
57 P A 0.0000
58 D A 0.0000
59 I A 0.0000
60 I A 0.0000
61 F A 0.0000
62 W A 0.0280
63 A A -0.0337
64 H A 0.0000
65 D A 0.0000
66 R A -0.4027
67 F A 0.0000
68 G A 0.0000
69 G A -0.7956
70 Y A 0.0000
71 A A -1.4767
72 Q A -1.6063
73 S A -1.0646
74 G A -0.9895
75 L A 0.0000
76 L A 0.0000
77 A A -1.1821
78 E A -2.2599
79 I A 0.0000
80 T A -1.4374
81 P A 0.0000
82 D A -2.9191
83 K A -3.3042
84 A A -2.2567
85 F A -2.1842
86 Q A -2.5773
87 D A -3.2274
88 K A -2.4195
89 L A 0.0000
90 Y A -0.4198
91 P A -0.4726
92 F A 0.4968
93 T A 0.0000
94 W A 0.0000
95 D A -1.9430
96 A A 0.0000
97 V A 0.0000
98 R A -2.5732
99 Y A -2.1321
100 N A -2.1740
101 G A -2.2454
102 K A -2.9364
103 L A 0.0000
104 I A 0.0000
105 A A 0.0000
106 Y A 0.0000
107 P A 0.0000
108 I A 0.0000
109 A A 0.0000
110 V A 0.0000
111 E A 0.0000
112 A A 0.0000
113 L A 0.0000
114 S A 0.0000
115 L A 0.0000
116 I A 0.0000
117 Y A -0.5259
118 N A 0.0000
119 K A -2.1319
120 D A -2.3652
121 L A -1.2863
122 L A 0.0000
123 P A -1.7090
124 N A -1.9517
125 P A -1.1157
126 P A 0.0000
127 K A -2.1107
128 T A -1.8180
129 W A 0.0000
130 E A -1.7005
131 E A -1.4975
132 I A 0.0000
133 P A -1.5956
134 A A -1.2905
135 L A -1.3803
136 D A 0.0000
137 K A -3.2925
138 E A -3.3493
139 L A 0.0000
140 K A -3.2789
141 A A -2.4871
142 K A -3.0222
143 G A -2.4648
144 K A -2.7657
145 S A 0.0000
146 A A 0.0000
147 L A 0.0000
148 M A -0.1542
149 F A 0.0000
150 N A -0.5892
151 L A 0.0000
152 Q A -1.0497
153 E A -0.6546
154 P A 0.0000
155 Y A -0.1339
156 F A 0.0000
157 T A 0.0000
158 W A 0.0000
159 P A 0.0000
160 L A 0.0000
161 I A 0.0000
162 A A 0.0000
163 A A 0.0000
164 D A -1.7541
165 G A -0.8899
166 G A 0.0000
167 Y A -0.2442
168 A A 0.0000
169 F A 0.0000
170 K A -1.4292
171 Y A -0.9223
172 E A -2.9094
173 N A -2.7693
174 G A -2.2172
175 K A -2.5750
176 Y A -1.5548
177 D A -2.0794
178 I A -0.6797
179 K A -1.9065
180 D A -1.5809
181 V A 0.0000
182 G A 0.0000
183 V A 0.0000
184 D A -2.0896
185 N A -1.2651
186 A A -0.8011
187 G A 0.0000
188 A A 0.0000
189 K A -1.3932
190 A A -0.8375
191 G A 0.0000
192 L A 0.0000
193 T A -0.4733
194 F A -0.3991
195 L A 0.0000
196 V A -1.2125
197 D A -2.1834
198 L A 0.0000
199 I A -2.6002
200 K A -3.3785
201 N A -3.3293
202 K A -3.4289
203 H A -2.3143
204 M A 0.0000
205 N A -2.4951
206 A A -1.9412
207 D A -2.1738
208 T A 0.0000
209 D A -1.0555
210 Y A 0.0139
211 S A 0.2118
212 I A 0.6916
213 A A 0.0000
214 E A -0.4291
215 A A -0.6597
216 A A 0.0000
217 F A 0.0000
218 N A -2.0651
219 K A -2.5996
220 G A -2.1988
221 E A -2.7420
222 T A 0.0000
223 A A 0.0000
224 M A 0.0000
225 T A 0.0000
226 I A 0.0000
227 N A 0.0000
228 G A 0.0000
229 P A 0.0000
230 W A 0.0000
231 A A 0.0000
232 W A 0.0000
233 S A -1.5999
234 N A -1.7396
235 I A 0.0000
236 D A -2.1134
237 T A -1.5666
238 S A -1.9477
239 K A -2.5569
240 V A -2.0295
241 N A -1.8866
242 Y A -1.0772
243 G A -0.6775
244 V A 0.0652
245 T A -0.1193
246 V A -0.0528
247 L A 0.0000
248 P A 0.0000
249 T A -1.4672
250 F A 0.0000
251 K A -2.4990
252 G A -2.0874
253 Q A -1.9087
254 P A -1.2888
255 S A 0.0000
256 K A -1.1372
257 P A 0.0000
258 F A 0.0000
259 V A 0.0000
260 G A 0.0000
261 V A 0.0000
262 L A 0.0000
263 S A 0.0000
264 A A 0.0000
265 G A 0.0000
266 I A 0.0000
267 N A 0.0000
268 A A -0.7576
269 A A -0.6121
270 S A 0.0000
271 P A -0.9484
272 N A 0.0000
273 K A -1.6643
274 E A -2.4811
275 L A -1.4615
276 A A 0.0000
277 K A -2.2212
278 E A -2.4156
279 F A 0.0000
280 L A 0.0000
281 E A -1.4406
282 N A -1.8122
283 Y A -1.3750
284 L A 0.0000
285 L A 0.0000
286 T A -1.6780
287 D A -2.2880
288 E A -2.5594
289 G A 0.0000
290 L A 0.0000
291 E A -2.6195
292 A A 0.0000
293 V A 0.0000
294 N A -1.9653
295 K A -2.7021
296 D A -2.3762
297 K A -1.7412
298 P A -1.0710
299 L A 0.0000
300 G A 0.0000
301 A A 0.0000
302 V A 0.0000
303 A A 0.0000
304 L A 0.0000
305 K A -2.2167
306 S A -1.9828
307 Y A 0.0000
308 E A -2.2078
309 E A -3.3091
310 E A -3.3488
311 L A -2.2744
312 A A -2.1324
313 K A -2.7152
314 D A -1.7810
315 P A -1.0464
316 R A -0.8642
317 I A 0.0000
318 A A -0.8200
319 A A 0.0000
320 T A 0.0000
321 M A -0.7408
322 E A -1.8170
323 N A 0.0000
324 A A -1.2847
325 Q A -2.1849
326 K A -1.9735
327 G A -1.5687
328 E A -1.3164
329 I A -0.0174
330 M A 0.0000
331 P A 0.0000
332 N A -0.2042
333 I A -0.3348
334 P A -0.5389
335 Q A -0.2334
336 M A 0.0000
337 S A -0.1475
338 A A -0.3466
339 F A 0.0000
340 W A 0.0000
341 Y A 0.0780
342 A A 0.0000
343 V A 0.0000
344 R A -0.3968
345 T A -0.3190
346 A A 0.0000
347 V A 0.0000
348 I A -0.4348
349 N A -1.1788
350 A A 0.0000
351 A A -1.2498
352 S A -1.5736
353 G A -1.7741
354 R A -2.5589
355 Q A -2.3857
356 T A -2.1177
357 V A -2.2707
358 D A -3.6269
359 E A -4.0416
360 A A 0.0000
361 L A 0.0000
362 K A -4.2307
363 D A -3.9736
364 A A 0.0000
365 Q A -2.5657
366 T A -2.1951
367 R A -2.6205
368 I A 0.0000
369 T A -1.1101
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Laboratory of Theory of Biopolymers 2018