Project name: cyanopox

Status: done

Started: 2025-10-28 10:34:00
Settings
Chain sequence(s) A: AQNRTIDGTDNNLSHNVWGSTNQHLDRAGPAAYADGMSMPAGGSRPSARAVSNGIAAQTGSMLNDRMMLSDWVWQWGQFLDHDLDLTDAASPAESFPIPVPMGDPFFDPFNTGTQTIGLSRSAYDPATGSVDARQQMNQITSWIDASNVYGSDMTRANALRTMSGGRLATSAGDLLPFNTGGLPNAGGTSPSSLFLAGDVRSNEQSGLAAVHTLFVREHNRLADQIAAANPGMMGDEDIYQQARKIVGAQMQIITYNEFLPALLGSAAPSPMSIGYDDSINPNIMNEFANACYRVVGHTMLSPTILRLDNAGNVIPHGNLALQDAFFNPNRIINEGGIAPILKGLASQAMQEIDNKIVDDVRNFLFGGSGGLDLASLNIQRGRDHGLPDYNSTRVMMGLTSVSSFADISSSDPAVQAALMMSSLYGTVNDIDLWVGALAEDHLAGSSVGELIAAVLGEQFTRLRDGDRYWYERDDFFVNNPSSLLAELQATRLSDIIRRNSDITNIQDNVFLIPEPATLGLLMFGAAFLRK
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                                          (00:04:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:49)
Show buried residues

Minimal score value
-2.9471
Maximal score value
2.6627
Average score
-0.2897
Total score value
-151.5168

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 A A -1.3824
2 Q A -1.6991
3 N A -1.4909
4 R A -1.0410
5 T A -0.8297
6 I A 0.0000
7 D A -0.9672
8 G A 0.0000
9 T A -0.2968
10 D A -0.8684
11 N A 0.0000
12 N A 0.0000
13 L A 0.5539
14 S A -0.3282
15 H A -0.7669
16 N A -0.2160
17 V A 0.8540
18 W A 0.2309
19 G A 0.0000
20 S A 0.0000
21 T A -0.8454
22 N A -1.3216
23 Q A -0.6832
24 H A -0.8985
25 L A 0.0000
26 D A -0.5896
27 R A -0.4695
28 A A -0.2235
29 G A -0.0393
30 P A -0.3472
31 A A -0.3509
32 A A -0.2584
33 Y A 0.0000
34 A A -0.5643
35 D A -1.2200
36 G A -0.8242
37 M A -0.1401
38 S A 0.0841
39 M A 0.2863
40 P A 0.0278
41 A A 0.0000
42 G A -0.4601
43 G A -0.6026
44 S A -0.6138
45 R A -0.5713
46 P A -0.2746
47 S A -0.3284
48 A A 0.0000
49 R A 0.0000
50 A A -0.1916
51 V A 0.0000
52 S A 0.0000
53 N A -0.6362
54 G A -0.5301
55 I A 0.0000
56 A A 0.0000
57 A A -0.6613
58 Q A 0.0000
59 T A -0.5338
60 G A -0.4731
61 S A 0.0143
62 M A 0.4158
63 L A 1.0937
64 N A 0.0000
65 D A -1.3978
66 R A -0.7272
67 M A 0.3606
68 L A 0.0000
69 S A 0.0000
70 D A 0.0000
71 W A 0.0000
72 V A 0.0000
73 W A 0.0000
74 Q A 0.0000
75 W A 0.0000
76 G A -0.2794
77 Q A -0.4011
78 F A 0.0000
79 L A 0.0000
80 D A -0.3683
81 H A 0.0000
82 D A 0.0000
83 L A 0.0000
84 D A 0.0000
85 L A -0.4752
86 T A -0.9283
87 D A -1.7489
88 A A -0.9966
89 A A 0.0000
90 S A -0.6194
91 P A -0.4902
92 A A -0.3939
93 E A -0.5706
94 S A -0.4178
95 F A -0.0970
96 P A -0.3304
97 I A 0.0000
98 P A -0.3484
99 V A 0.0000
100 P A -0.0606
101 M A 0.5365
102 G A 0.1634
103 D A 0.0000
104 P A 0.2600
105 F A 0.8468
106 F A 0.0000
107 D A 0.0000
108 P A 0.4759
109 F A 1.2872
110 N A -0.2947
111 T A -0.0426
112 G A -0.0923
113 T A -0.2099
114 Q A -0.4311
115 T A -0.5078
116 I A 0.0000
117 G A -0.5233
118 L A 0.0000
119 S A -0.6097
120 R A 0.0000
121 S A 0.0000
122 A A 0.0000
123 Y A -0.4942
124 D A -0.6635
125 P A -0.3842
126 A A -0.1307
127 T A -0.1519
128 G A -0.1242
129 S A 0.3912
130 V A 1.0006
131 D A -0.5266
132 A A -0.4055
133 R A 0.0000
134 Q A -0.5325
135 Q A 0.0000
136 M A -0.8742
137 N A 0.0000
138 Q A -1.1680
139 I A 0.0000
140 T A 0.0000
141 S A 0.0000
142 W A 0.0000
143 I A 0.0000
144 D A 0.0000
145 A A 0.0000
146 S A 0.0000
147 N A 0.0000
148 V A 0.0000
149 Y A 0.0000
150 G A 0.0000
151 S A 0.0000
152 D A -1.0779
153 M A -0.0297
154 T A -0.2359
155 R A 0.0000
156 A A 0.0000
157 N A -0.6696
158 A A -0.2514
159 L A 0.0000
160 R A 0.0000
161 T A -0.2395
162 M A -0.3133
163 S A -0.6324
164 G A -1.4030
165 G A 0.0000
166 R A -1.2285
167 L A 0.0000
168 A A -0.3176
169 T A -0.6828
170 S A -0.4192
171 A A -0.5467
172 G A -1.1815
173 D A -2.1100
174 L A 0.0000
175 L A 0.0000
176 P A -0.0396
177 F A 0.3707
178 N A 0.0000
179 T A -0.2977
180 G A -0.5401
181 G A -0.5347
182 L A -0.2531
183 P A -0.4041
184 N A -0.4507
185 A A -0.5416
186 G A -0.5156
187 G A -0.5324
188 T A -0.6323
189 S A -0.5205
190 P A -0.4052
191 S A -0.4197
192 L A 0.0000
193 F A 0.0000
194 L A 0.0000
195 A A 0.0000
196 G A 0.0000
197 D A 0.0000
198 V A 0.0104
199 R A -0.2156
200 S A 0.0000
201 N A 0.0000
202 E A -0.2230
203 Q A 0.0000
204 S A 0.0000
205 G A 0.0000
206 L A 0.0000
207 A A 0.0000
208 A A 0.0000
209 V A 0.0000
210 H A 0.0000
211 T A 0.0000
212 L A 0.0000
213 F A 0.0000
214 V A 0.0000
215 R A -1.0276
216 E A 0.0000
217 H A 0.0000
218 N A 0.0000
219 R A -1.3549
220 L A 0.0000
221 A A 0.0000
222 D A -1.8934
223 Q A -1.8950
224 I A 0.0000
225 A A -1.3950
226 A A -0.9829
227 A A -0.8574
228 N A -1.2522
229 P A -0.9678
230 G A -0.8047
231 M A -1.2744
232 G A -1.8131
233 D A -2.0257
234 E A -2.8971
235 D A -2.9471
236 I A 0.0000
237 Y A 0.0000
238 Q A -1.7019
239 Q A -1.0691
240 A A 0.0000
241 R A 0.0000
242 K A -0.3534
243 I A 0.0000
244 V A 0.0000
245 G A 0.0000
246 A A 0.0000
247 Q A 0.0000
248 M A 0.0000
249 Q A 0.0000
250 I A 0.0000
251 I A 0.0000
252 T A 0.0000
253 Y A 0.0000
254 N A -0.8122
255 E A 0.0000
256 F A 0.0000
257 L A 0.0000
258 P A -0.3434
259 A A 0.0000
260 L A 0.0000
261 L A 0.0000
262 G A -0.3813
263 S A -0.3581
264 A A -0.3360
265 A A -0.2510
266 P A -0.2998
267 S A 0.1519
268 P A 0.1508
269 M A 0.7451
270 S A 0.9113
271 I A 1.9618
272 G A 0.4611
273 Y A -0.3510
274 D A -1.3807
275 D A -2.1385
276 S A -1.3841
277 I A -0.7733
278 N A -0.7539
279 P A 0.0000
280 N A 0.0000
281 I A 0.0000
282 M A 0.0000
283 N A 0.0000
284 E A 0.0000
285 F A 0.0000
286 A A 0.0000
287 N A 0.0000
288 A A 0.0000
289 C A 0.0000
290 Y A 0.0000
291 R A -0.5136
292 V A 0.0000
293 G A -0.3638
294 H A -0.3906
295 T A 0.0000
296 M A 0.0000
297 L A -0.0308
298 S A 0.0000
299 P A -0.4221
300 T A -0.3528
301 I A 0.0000
302 L A -0.1221
303 R A 0.0000
304 L A 0.0000
305 D A -1.3559
306 N A -1.1403
307 A A 0.2934
308 G A 0.0000
309 N A 0.0000
310 V A 0.0000
311 I A 0.0000
312 P A -1.4205
313 H A -1.7570
314 G A -1.3108
315 N A -0.9193
316 L A 0.0000
317 A A -0.6213
318 L A 0.0000
319 Q A -0.7444
320 D A -1.2187
321 A A 0.0000
322 F A -0.0054
323 F A 0.2505
324 N A -0.5002
325 P A 0.0000
326 N A -1.3338
327 R A -1.3183
328 I A 0.0000
329 I A -0.4781
330 N A -1.6226
331 E A -1.5324
332 G A -1.2286
333 G A -0.8291
334 I A 0.0000
335 A A -0.8554
336 P A 0.0000
337 I A 0.0000
338 L A 0.0000
339 K A 0.0000
340 G A 0.0000
341 L A 0.0000
342 A A 0.0000
343 S A -0.0960
344 Q A 0.2176
345 A A 0.0000
346 M A 0.0000
347 Q A 0.0000
348 E A -0.2893
349 I A 0.0000
350 D A -0.8211
351 N A 0.0000
352 K A -1.0215
353 I A 0.0000
354 V A 0.0000
355 D A -1.3872
356 D A -0.8566
357 V A 0.0000
358 R A 0.0000
359 N A 0.0000
360 F A 0.5589
361 L A 1.1666
362 F A 1.8543
363 G A 0.4622
366 G A 0.2193
367 S A 0.0683
368 G A 0.2786
369 G A 0.7626
370 L A 0.6943
371 D A 0.0000
372 L A 0.2374
373 A A 0.0000
374 S A 0.0000
375 L A 0.2994
376 N A 0.0000
377 I A 0.0000
378 Q A 0.0000
379 R A -0.1378
380 G A -0.1643
381 R A 0.0000
382 D A 0.0000
383 H A 0.0000
384 G A 0.0000
385 L A 0.0000
386 P A 0.0000
387 D A -0.6618
388 Y A 0.0000
389 N A 0.0000
390 S A 0.1877
391 T A 0.0000
392 R A 0.0000
393 V A 1.7946
394 M A 1.0098
395 M A 0.6191
396 G A 0.4288
397 L A 0.4931
398 T A 0.3848
399 S A -0.0706
400 V A 0.0000
401 S A -0.8510
402 S A -0.8011
403 F A -0.7039
404 A A -1.0791
405 D A -2.0342
406 I A 0.0000
407 S A 0.0000
408 S A -1.4877
409 D A -1.5553
410 P A -0.7891
411 A A -0.3202
412 V A -0.2499
413 Q A -0.4777
414 A A -0.0318
415 A A 0.0844
416 L A 0.0000
417 M A 0.4799
418 S A 0.0340
419 L A 0.0983
420 Y A -0.2321
421 G A -0.4288
422 T A -0.6169
423 V A 0.0000
424 N A -1.6012
425 D A -1.2121
426 I A 0.0000
427 D A 0.0000
428 L A 0.0000
429 W A 0.0000
430 V A 0.0000
431 G A 0.0000
432 A A 0.0000
433 L A 0.0000
434 A A 0.0000
435 E A 0.0000
436 D A -2.3189
437 H A -1.2901
438 L A -0.6156
439 A A -0.4459
440 G A -0.5681
441 S A 0.0000
442 S A 0.0000
443 V A 0.0000
444 G A 0.0000
445 E A -1.3478
446 L A 0.0000
447 I A 0.0000
448 A A 0.0000
449 A A -0.5427
450 V A 0.0000
451 L A 0.0000
452 G A -0.5293
453 E A -0.9159
454 Q A 0.0000
455 F A 0.0000
456 T A -0.1939
457 R A -0.7936
458 L A 0.0000
459 R A 0.0000
460 D A 0.0000
461 G A 0.0000
462 D A 0.0000
463 R A -0.7113
464 Y A 0.0000
465 W A 0.0000
466 Y A 0.0000
467 E A -0.5641
468 R A -0.8142
469 D A 0.0000
470 D A -1.9281
471 F A -1.0260
472 F A 0.0000
473 V A 0.0625
474 N A -1.2241
475 N A -0.8479
476 P A -0.7281
477 S A -0.7924
478 L A -0.6344
479 L A -0.5193
480 A A -1.0693
481 E A -1.9259
482 L A 0.0000
483 Q A -1.4168
484 A A -1.1620
485 T A 0.0000
486 R A -1.7024
487 L A 0.0000
488 S A 0.0000
489 D A -1.6674
490 I A 0.0000
491 I A 0.0000
492 R A -2.3461
493 R A -1.9996
494 N A -1.6688
495 S A -1.8112
496 D A -2.5045
497 I A 0.0000
498 T A -1.4405
499 N A -1.3686
500 I A -1.0336
501 Q A -1.4610
502 D A -2.5125
503 N A -1.5411
504 V A 0.0000
505 F A 0.0000
506 L A 0.0996
507 I A 0.1749
508 P A -0.8448
509 E A -1.6871
510 P A -0.8583
511 A A -0.0896
512 T A 0.1204
513 L A 0.8201
514 G A 1.3949
515 L A 2.5440
516 L A 2.0045
517 M A 2.0580
518 F A 2.6627
519 G A 0.9497
520 A A 1.1412
521 A A 1.4462
522 F A 0.8680
523 L A 0.5897
524 R A -1.7147
525 K A -2.2354
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Laboratory of Theory of Biopolymers 2018