Project name: TSA1_30_429

Status: done

Started: 2025-02-06 19:30:51
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Chain sequence(s) A: MVERNSGDLQLPQEIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEAFGTLPGVWLKSGPELPEKSLRVDALITATIEGRKVMLYTQKVRHFKEVDEPNALHLWVTDNNRTFHLGPFSVDSAENKTFANTLLYSDDALHLLQAKGDHESTAVSLARLTEELNTI
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:58)
Show buried residues

Minimal score value
-3.891
Maximal score value
1.4805
Average score
-0.9069
Total score value
-366.378

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 M A 1.1406
2 V A 0.7352
3 E A -1.9089
4 R A -2.8079
5 N A -2.7234
6 S A -1.9613
7 G A -1.7713
8 D A -1.7810
9 L A -0.1193
10 Q A -0.8968
11 L A -0.0080
12 P A -0.7387
13 Q A -0.9714
14 E A -0.7013
15 I A -0.1415
16 A A 0.1416
17 M A 0.0000
18 L A 0.0000
19 V A -0.2398
20 P A -1.1161
21 N A -2.1003
22 K A -2.3441
23 T A 0.0000
24 Q A -1.7733
25 V A 0.0000
26 V A -1.5670
27 P A -1.9629
28 K A -2.0134
29 S A -1.5483
30 G A -1.6398
31 G A -2.0657
32 E A -2.7072
33 G A -2.2693
34 K A -2.4646
35 V A -1.0871
36 K A 0.0000
37 D A -1.3329
38 I A -0.8815
39 F A 0.0000
40 A A -0.0668
41 S A -0.0133
42 P A 0.0000
43 A A 0.0000
44 L A 0.0000
45 V A 0.0000
46 R A -1.0056
47 A A 0.0000
48 G A -1.5945
49 G A -1.4754
50 V A 0.0000
51 M A 0.0000
52 I A 0.0000
53 A A 0.0000
54 F A 0.0000
55 V A 0.0000
56 E A 0.0000
57 G A 0.0000
58 R A -0.6580
59 T A -1.2036
60 K A -1.6683
61 N A -1.7001
62 K A -1.9914
63 L A -0.7940
64 F A 0.0000
65 P A -1.2761
66 E A -1.5340
67 V A 0.2152
68 I A 0.6192
69 D A -1.5794
70 L A 0.0000
71 S A 0.0000
72 S A 0.0000
73 S A 0.0000
74 D A -0.7223
75 I A 0.0000
76 V A 0.0000
77 A A 0.0000
78 G A 0.0000
79 Y A 0.0000
80 I A 0.0000
81 K A -1.6460
82 A A -1.2812
83 P A -1.4248
84 E A -2.4340
85 T A -1.2585
86 W A -0.9501
87 Q A -1.2915
88 S A -1.0847
89 L A 0.0000
90 V A -0.0891
91 A A -0.2763
92 E A 0.0000
93 V A 0.0000
94 T A -0.5392
95 K A -1.1382
96 E A -1.5567
97 Y A 0.0200
98 W A -0.3859
99 Q A -0.8111
100 A A 0.0000
101 H A -0.9332
102 T A 0.0000
103 V A 0.0000
104 L A 0.0000
105 E A -1.4751
106 S A -1.1740
107 A A -1.3197
108 N A -2.4984
109 N A -2.6680
110 S A -2.3487
111 N A -2.4415
112 H A -2.0747
113 R A -2.8966
114 V A 0.0000
115 G A 0.0000
116 V A 0.0000
117 A A 0.0000
118 R A -0.4769
119 L A -0.0412
120 P A 0.0000
121 T A 0.0000
122 G A 0.0000
123 I A 0.0000
124 T A -1.0932
125 R A -1.9609
126 G A -1.7545
127 N A -2.0777
128 K A -2.4865
129 V A 0.0000
130 F A 0.0000
131 L A 0.0000
132 L A 0.0000
133 V A 0.0000
134 G A 0.0000
135 S A -0.7457
136 Y A 0.0000
137 E A -1.9270
138 E A -2.1124
139 R A -2.2995
140 R A -1.2617
141 E A -0.9506
142 I A 0.5536
143 D A -1.4260
144 D A -1.3096
145 Y A 0.8146
146 I A 0.6169
147 W A -0.4203
148 K A -1.4700
149 A A -1.5163
150 E A -2.0984
151 A A -1.1882
152 W A -1.1528
153 N A -1.4468
154 I A 0.0000
155 K A -0.9195
156 V A 0.0000
157 I A 0.0000
158 E A -1.4350
159 G A 0.0000
160 E A -2.6313
161 A A 0.0000
162 T A -1.7923
163 Q A -1.8254
164 S A -1.3124
165 T A -1.0281
166 E A -1.6549
167 V A 0.2740
168 Q A -1.1383
169 P A -1.3103
170 T A -0.6927
171 Q A -1.0733
172 P A 0.0000
173 I A 0.0000
174 N A -1.8975
175 W A -1.6323
176 S A -1.5997
177 E A -2.0871
178 P A -1.3568
179 K A -1.3847
180 P A -1.0784
181 L A 0.0000
182 F A -1.3274
183 Q A -2.0941
184 T A -1.5936
185 D A -2.4972
186 S A -2.3209
187 P A -2.3925
188 N A -3.4516
189 N A -3.2102
190 K A -3.3392
191 G A -3.0899
192 D A -3.8910
193 L A -3.0208
194 K A -2.9807
195 E A -1.9347
196 F A -0.6667
197 L A -0.3189
198 G A 0.0000
199 G A 0.0000
200 G A 0.0000
201 G A 0.0000
202 S A 0.1654
203 G A 0.0000
204 I A 0.4029
205 V A 0.2593
206 M A 0.0000
207 G A -1.5551
208 N A -1.7575
209 G A -1.1648
210 T A 0.0000
211 L A 0.0000
212 V A 0.0000
213 F A 0.0000
214 P A 0.0000
215 L A 0.0000
216 T A 0.0000
217 A A 0.0000
218 K A -2.3451
219 D A -3.1846
220 E A -3.6259
221 S A -2.5043
222 N A -2.9848
223 K A -2.0743
224 V A 0.0000
225 F A -0.2507
226 S A 0.0000
227 L A 0.0000
228 I A 0.0000
229 T A 0.0000
230 Y A -0.6836
231 S A 0.0000
232 T A -1.6227
233 D A -1.9994
234 D A -2.5765
235 G A 0.0000
236 Q A -2.6280
237 K A -3.0741
238 W A -2.0793
239 E A -2.0989
240 I A -1.1073
241 P A 0.0000
242 G A -1.5144
243 G A -0.7506
244 V A 0.4715
245 S A 0.0000
246 S A -0.0241
247 V A 0.3958
248 A A -1.0092
249 C A 0.0000
250 R A -1.9022
251 S A -0.8946
252 P A 0.0000
253 R A 0.0000
254 V A 0.0000
255 T A 0.0000
256 E A -0.9139
257 W A 0.0000
258 E A -2.7603
259 E A -3.1557
260 G A -2.3697
261 T A 0.0000
262 L A 0.0000
263 L A 0.0000
264 M A 0.0000
265 V A 0.0000
266 T A 0.0000
267 Y A -1.7022
268 C A 0.0000
269 E A -3.2742
270 D A -3.1608
271 G A 0.0000
272 R A 0.0000
273 K A -0.6528
274 V A 0.0000
275 F A 0.0000
276 E A -0.7916
277 S A 0.0000
278 R A -2.8652
279 D A -1.9713
280 M A -1.1232
281 G A 0.0000
282 K A -2.0317
283 T A -1.2740
284 W A -0.8023
285 T A -0.3377
286 E A -0.2149
287 A A 0.3701
288 F A 1.4805
289 G A 0.1473
290 T A 0.0000
291 L A 0.0000
292 P A -0.4382
293 G A -0.2828
294 V A 0.0000
295 W A 0.1474
296 L A -0.6962
297 K A -2.2277
298 S A -2.3632
299 G A -1.7443
300 P A -1.2071
301 E A -2.1650
302 L A -1.8678
303 P A -1.9763
304 E A -3.1922
305 K A -2.6374
306 S A -1.6325
307 L A 0.0000
308 R A -1.2616
309 V A 0.0000
310 D A 0.0000
311 A A 0.0000
312 L A 0.0000
313 I A 0.2875
314 T A -0.0768
315 A A 0.0000
316 T A -1.7394
317 I A -2.0058
318 E A -2.7862
319 G A -2.4084
320 R A -3.0376
321 K A -2.3670
322 V A 0.0000
323 M A 0.0000
324 L A 0.0000
325 Y A 0.0000
326 T A 0.0000
327 Q A 0.0000
328 K A 0.0000
329 V A -0.1186
330 R A -1.2249
331 H A -1.3878
332 F A -0.0178
333 K A -2.0429
334 E A -2.5272
335 V A -0.5024
336 D A -2.4875
337 E A -2.7053
338 P A -1.4976
339 N A -1.0161
340 A A 0.0000
341 L A 0.0000
342 H A 0.0000
343 L A 0.0000
344 W A 0.1837
345 V A 0.0000
346 T A 0.0000
347 D A -1.9050
348 N A -2.0008
349 N A -2.5952
350 R A -2.5300
351 T A -1.0917
352 F A 0.2847
353 H A -0.0818
354 L A 0.0583
355 G A 0.0614
356 P A 0.3012
357 F A 0.0000
358 S A 0.2344
359 V A 0.5371
360 D A -0.8536
361 S A -1.4088
362 A A -1.5030
363 E A -3.1333
364 N A -2.6618
365 K A -1.9113
366 T A 0.0000
367 F A -0.7858
368 A A 0.0000
369 N A 0.0000
370 T A 0.0000
371 L A 0.0000
372 L A 0.0684
373 Y A -0.4384
374 S A -1.3546
375 D A -2.8933
376 D A -2.7750
377 A A 0.0000
378 L A 0.0000
379 H A 0.0000
380 L A 0.0000
381 L A 0.0000
382 Q A 0.0000
383 A A 0.0000
384 K A -1.4839
385 G A 0.0000
386 D A -2.8307
387 H A -2.7447
388 E A -3.1214
389 S A -2.0972
390 T A 0.0000
391 A A -0.3094
392 V A 0.0000
393 S A 0.0000
394 L A 0.0000
395 A A 0.0000
396 R A -0.7844
397 L A 0.0000
398 T A -1.5700
399 E A -2.3248
400 E A -1.4301
401 L A -1.1949
402 N A -1.7669
403 T A -0.9034
404 I A -0.3058
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Laboratory of Theory of Biopolymers 2018