Project name: plo [mutate: NS90A, VP93A, LF225A, VI232A, SA233A, SF314A, GS357A, LN524A]

Status: done

Started: 2025-10-28 10:08:22
Settings
Chain sequence(s) A: MKRKAFASLVASVVAAATVTMPTASFAAGLGNSSGLTDGLSAPRASISPTDKVDLKSAQETDETGVDKYIRGLKYDPSGVLAVKGESIENVPVTKDQLKDGTYTVFKHERKSFNNLRSDISAFDANNAHVYPGALVLANKDLAKGSPTSIGIARAPQTVSVDLPGLVDGKNKVVINNPTKSSVTQGLNGLLDGWIQRNSKYPDHAAKISYDETMVTSKRQLEAKLGLGFEKVSAKLNVDFDAIHKRERQVAIASFKQIYYTASVDTPTSPHSVFGPNVTAQDLKDRGVNNKNPLGYISSVSYGRQIFVKLETTSTSNDVQAAFSGLFKAKFGNLSTEFKAKYADILNKTRATVYAVGGSARGGVEVATGNIDALKKIIKEESTYSTKVPAVPVSYAVNFLKDNQLAAVRSSGDYIETTATTYKSGEITFRHGGGYVAKFRLKWDEISYDPQGKEIRTPKTWSGNWAARTLGFRETIQLPANARNIHVEAGEATGLAWDPWWTVINKKNLPLVPHREIVLKGTTLNPWVEDNVKS
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues LN524A,LF225A,SF314A,VI232A,SA233A,GS357A,NS90A,VP93A
Energy difference between WT (input) and mutated protein (by FoldX) 3.74291 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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                                        (00:00:00)
[INFO]       FoldX:    Building mutant model                                                       (00:13:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:15:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:21:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:21:39)
Show buried residues

Minimal score value
-3.6883
Maximal score value
2.7823
Average score
-0.8317
Total score value
-444.1081

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 -0.1528
2 K A -2.5206
3 R A -3.0533
4 K A -2.4860
5 A A -0.5191
6 F A 1.4936
7 A A 1.3545
8 S A 1.5300
9 L A 2.5384
10 V A 2.6564
11 A A 1.9043
12 S A 1.8351
13 V A 2.7823
14 V A 2.6323
15 A A 1.4141
16 A A 0.9939
17 A A 0.7455
18 T A 0.9354
19 V A 1.9626
20 T A 1.2143
21 M A 1.3225
22 P A 0.3863
23 T A 0.2290
24 A A 0.4329
25 S A 0.7293
26 F A 1.8854
27 A A 0.8851
28 A A 0.6490
29 G A 0.2865
30 L A 0.8290
31 G A -0.4590
32 N A -1.3523
33 S A -1.2035
34 S A -0.4995
35 G A 0.1766
36 L A 0.7863
37 T A -0.2863
38 D A -1.4305
39 G A -0.6445
40 L A 0.8597
41 S A 0.4512
42 A A -0.3179
43 P A -1.1444
44 R A -1.9672
45 A A -0.6211
46 S A 0.3571
47 I A 1.7666
48 S A 0.3585
49 P A -0.5516
50 T A -1.3267
51 D A -2.4561
52 K A -2.0047
53 V A -0.2479
54 D A -1.3734
55 L A -0.0298
56 K A -1.5057
57 S A -1.4219
58 A A -1.2627
59 Q A -2.7040
60 E A -3.2125
61 T A -2.6258
62 D A -3.6883
63 E A -3.5629
64 T A -2.1476
65 G A -1.8972
66 V A 0.0000
67 D A 0.0000
68 K A -2.8967
69 Y A -1.8161
70 I A 0.0000
71 R A -2.1766
72 G A -1.7681
73 L A 0.0000
74 K A -2.7422
75 Y A -2.2524
76 D A -2.4361
77 P A -1.1171
78 S A -0.7728
79 G A -1.1773
80 V A -1.3230
81 L A 0.0000
82 A A -1.1356
83 V A -1.6813
84 K A -2.3367
85 G A -1.8555
86 E A -2.0662
87 S A -1.6688
88 I A -1.3032
89 E A -2.0348
90 S A -0.8987 mutated: NS90A
91 V A -0.7821
92 P A -0.9738
93 P A -1.4634 mutated: VP93A
94 T A -2.2284
95 K A -2.4265
96 D A -1.6983
97 Q A -1.3467
98 L A -0.8483
99 K A -2.4432
100 D A -2.8751
101 G A -1.9726
102 T A -1.6778
103 Y A 0.0000
104 T A -0.8300
105 V A 0.0000
106 F A -1.3644
107 K A -2.1412
108 H A -2.1410
109 E A -3.0373
110 R A -2.8858
111 K A -1.9101
112 S A -1.2473
113 F A -0.8941
114 N A -1.6115
115 N A -1.0125
116 L A -0.1005
117 R A -0.7887
118 S A -0.7606
119 D A -1.7022
120 I A 0.0000
121 S A -0.8159
122 A A 0.0000
123 F A 0.0000
124 D A -2.0067
125 A A -1.1769
126 N A -1.8688
127 N A -1.4163
128 A A -0.9370
129 H A -0.8312
130 V A 0.0000
131 Y A -0.2030
132 P A 0.0000
133 G A 0.0000
134 A A 0.0000
135 L A 0.0000
136 V A 0.0000
137 L A 0.0000
138 A A 0.0000
139 N A -1.8393
140 K A -2.5472
141 D A -2.5507
142 L A 0.0000
143 A A 0.0000
144 K A -1.5185
145 G A 0.0000
146 S A -1.3376
147 P A 0.0000
148 T A -0.7933
149 S A -0.4040
150 I A 0.0000
151 G A -0.5648
152 I A -0.1884
153 A A -0.5429
154 R A -1.0402
155 A A -0.9474
156 P A -0.8728
157 Q A 0.0000
158 T A -0.1445
159 V A 0.0000
160 S A -1.2312
161 V A 0.0000
162 D A -2.0128
163 L A 0.0000
164 P A -0.4280
165 G A -1.0128
166 L A -0.9895
167 V A 0.0843
168 D A -1.7313
169 G A -1.5993
170 K A -2.1984
171 N A -1.8576
172 K A -1.5256
173 V A 0.2137
174 V A 1.2131
175 I A 0.0000
176 N A -1.5500
177 N A -1.9026
178 P A 0.0000
179 T A -1.1046
180 K A -1.0330
181 S A -0.9546
182 S A -1.3641
183 V A 0.0000
184 T A -1.2508
185 Q A -1.9274
186 G A -0.9419
187 L A 0.0000
188 N A -2.3195
189 G A -1.8173
190 L A 0.0000
191 L A -1.2951
192 D A -2.3179
193 G A -1.9571
194 W A 0.0000
195 I A -0.9728
196 Q A -2.2838
197 R A -2.7599
198 N A -2.0635
199 S A -1.7128
200 K A -2.2392
201 Y A -1.1041
202 P A -1.1694
203 D A -1.9613
204 H A -1.0596
205 A A -0.5710
206 A A -0.3854
207 K A -0.7043
208 I A 1.2463
209 S A 0.4659
210 Y A 0.1546
211 D A -1.1039
212 E A -1.1481
213 T A -0.7213
214 M A -0.2875
215 V A 0.0000
216 T A 0.0000
217 S A -1.0102
218 K A -1.3517
219 R A -1.4086
220 Q A 0.0000
221 L A 0.0000
222 E A -1.0446
223 A A 0.0000
224 K A -1.3642
225 F A 0.0000 mutated: LF225A
226 G A 0.0000
227 L A -0.8010
228 G A 0.0000
229 F A 0.0000
230 E A -1.4567
231 K A -1.7633
232 I A 0.0000 mutated: VI232A
233 A A 0.0000 mutated: SA233A
234 A A -1.4539
235 K A -1.4706
236 L A 0.0000
237 N A -1.5989
238 V A -1.3611
239 D A -2.1315
240 F A -1.9749
241 D A -3.1430
242 A A 0.0000
243 I A 0.0000
244 H A -3.0756
245 K A -3.5199
246 R A -2.8737
247 E A -3.4056
248 R A -2.5942
249 Q A -1.6894
250 V A 0.0000
251 A A 0.0000
252 I A 0.0000
253 A A 0.0000
254 S A 0.0000
255 F A 0.0000
256 K A 0.0933
257 Q A 0.0000
258 I A 0.0860
259 Y A 0.0000
260 Y A -0.6062
261 T A -0.4924
262 A A 0.0000
263 S A -0.9044
264 V A 0.0000
265 D A -1.9653
266 T A -1.0620
267 P A 0.0000
268 T A -0.6068
269 S A -0.8548
270 P A 0.0000
271 H A -1.0985
272 S A -0.4406
273 V A 0.0000
274 F A 0.0000
275 G A -0.8194
276 P A -0.9438
277 N A -1.4073
278 V A -0.9589
279 T A -1.2381
280 A A -1.7435
281 Q A -2.6608
282 D A -2.5384
283 L A 0.0000
284 K A -3.4955
285 D A -3.5348
286 R A -2.6253
287 G A -2.2964
288 V A 0.0000
289 N A -2.4206
290 N A -2.5949
291 K A -2.7258
292 N A -1.6700
293 P A 0.0000
294 L A 0.0000
295 G A 0.0000
296 Y A 0.0000
297 I A 0.0000
298 S A -0.2937
299 S A -0.5108
300 V A 0.0000
301 S A -0.3169
302 Y A 0.0000
303 G A 0.0000
304 R A 0.0000
305 Q A 0.0000
306 I A 0.0000
307 F A 0.0000
308 V A 0.0000
309 K A 0.0000
310 L A 0.0000
311 E A -1.2621
312 T A 0.0000
313 T A -1.4086
314 F A -1.2658 mutated: SF314A
315 T A -0.8271
316 S A -1.3685
317 N A -1.9636
318 D A -2.2185
319 V A 0.0000
320 Q A -1.7870
321 A A -1.1141
322 A A 0.0000
323 F A 0.0000
324 S A -1.0673
325 G A -0.9301
326 L A 0.0000
327 F A 0.0000
328 K A -2.1172
329 A A -1.6803
330 K A -2.2834
331 F A 0.0000
332 G A -1.9872
333 N A -1.4096
334 L A -1.2415
335 S A -1.1362
336 T A -1.6111
337 E A -2.4961
338 F A -1.6833
339 K A -2.2330
340 A A -2.0132
341 K A -2.7149
342 Y A 0.0000
343 A A -2.0566
344 D A -2.2874
345 I A 0.0000
346 L A 0.0000
347 N A -2.8293
348 K A -2.7756
349 T A 0.0000
350 R A -2.8273
351 A A 0.0000
352 T A 0.0000
353 V A 0.0000
354 Y A 0.0000
355 A A 0.0000
356 V A 0.0000
357 S A 0.0000 mutated: GS357A
358 G A 0.0000
359 S A 0.0000
360 A A -1.2962
361 R A -1.6302
362 G A -1.1782
363 G A -0.6739
364 V A 0.4840
365 E A -0.1394
366 V A 0.5145
367 A A 0.2636
368 T A -0.5679
369 G A -1.5418
370 N A -2.8183
371 I A -2.3084
372 D A -2.5727
373 A A -1.7696
374 L A 0.0000
375 K A -2.8101
376 K A -3.2455
377 I A -2.0818
378 I A 0.0000
379 K A -3.4447
380 E A -3.0933
381 E A 0.0000
382 S A -1.5550
383 T A -1.0260
384 Y A -0.5795
385 S A -0.8523
386 T A -1.0614
387 K A -1.6687
388 V A -0.9162
389 P A -0.6485
390 A A -0.0870
391 V A -0.1868
392 P A 0.0000
393 V A 0.0000
394 S A 0.0000
395 Y A 0.0000
396 A A -0.5172
397 V A 0.0000
398 N A -0.3668
399 F A 0.0000
400 L A 0.0000
401 K A -1.8123
402 D A -1.9415
403 N A -1.2452
404 Q A -1.0657
405 L A 0.1798
406 A A 0.0000
407 A A -0.3371
408 V A 0.0000
409 R A -1.2364
410 S A 0.0000
411 S A -1.5560
412 G A -1.5412
413 D A 0.0000
414 Y A 0.0000
415 I A -1.1980
416 E A -1.5122
417 T A -1.3622
418 T A -0.9939
419 A A -0.7558
420 T A -0.5734
421 T A -0.4432
422 Y A -0.3680
423 K A -1.6775
424 S A -1.2861
425 G A 0.0000
426 E A -1.0151
427 I A 0.0000
428 T A -1.3309
429 F A 0.0000
430 R A -1.6393
431 H A 0.0000
432 G A -0.2774
433 G A 0.0000
434 G A -0.3960
435 Y A 0.0000
436 V A 0.9306
437 A A 0.0000
438 K A 0.0003
439 F A 0.0000
440 R A -1.0337
441 L A 0.0000
442 K A -1.7138
443 W A 0.0000
444 D A -1.6118
445 E A -1.3198
446 I A 0.0000
447 S A -1.2645
448 Y A -1.9969
449 D A -1.7608
450 P A -1.6665
451 Q A -2.3579
452 G A -2.4974
453 K A -3.1384
454 E A -2.9254
455 I A -1.1650
456 R A -2.3261
457 T A -1.4244
458 P A -1.4833
459 K A -1.7019
460 T A -1.1458
461 W A 0.0000
462 S A -0.5079
463 G A -0.3755
464 N A -0.4685
465 W A 0.1171
466 A A 0.0494
467 A A 0.1454
468 R A -0.0785
469 T A 0.4148
470 L A 1.0146
471 G A -0.1653
472 F A -0.8021
473 R A -2.2920
474 E A -1.7773
475 T A -1.2740
476 I A 0.0000
477 Q A -1.5237
478 L A 0.0000
479 P A -0.7858
480 A A 0.0000
481 N A -0.7634
482 A A 0.0000
483 R A -1.2933
484 N A -1.8445
485 I A 0.0000
486 H A -2.1947
487 V A 0.0000
488 E A -1.5194
489 A A 0.0000
490 G A 0.0000
491 E A 0.0000
492 A A 0.3801
493 T A 0.0137
494 G A -0.0142
495 L A 0.4354
496 A A 0.3420
497 W A 0.5430
498 D A -0.7846
499 P A -0.1262
500 W A 0.6932
501 W A 0.8286
502 T A 0.2870
503 V A 0.3462
504 I A 0.0000
505 N A -2.1830
506 K A -2.5455
507 K A -3.2056
508 N A -2.4514
509 L A -1.3529
510 P A -0.6730
511 L A -0.3832
512 V A -0.2395
513 P A -0.9427
514 H A -0.8034
515 R A 0.0000
516 E A -1.2349
517 I A 0.0000
518 V A 0.0000
519 L A 0.0000
520 K A -0.4695
521 G A -0.7904
522 T A -1.0398
523 T A -0.9848
524 N A -1.9092 mutated: LN524A
525 N A -1.8428
526 P A -0.5373
527 W A 0.3623
528 V A 0.0772
529 E A -1.0843
530 D A -1.1120
531 N A -1.0937
532 V A -0.0748
533 K A -1.2146
534 S A -0.6459
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018