Project name: 8igg

Chain sequence(s)	A: GDARASEALTVFTRLKEQAVAQQDLADDFSILRFDRDQHQVGWSSLVIAKQISLNGQPVIAVRPLILPNNSIELPDIDVGTVFSAQYFNRLSTYVQNTLGKPGAKVVLAGPFPIPADLVLKDSELQLRNLLIKSVNACDDILALHSGERPFTIAGLKGQQGETLAAKVDIRTQPLHDTVGNPIRADIVVTTQRVRRNGQQENEFYETDVKLNQVAMFTNLERTPPAPWVASVVITDVRNADGIQANTPEMYWFALSNAFRSTHGHAWARPFLPMTGVAKDMKDIGALGWMSALRNRIDTKAANFDDAQFGQLMLSQVQPNPVFQIDLNRMGETAQMDSLQLDAAGGPNAQKAAATIIRQINNLGGGGFERFFDHTTQPILERTGQVIDLGNWFDGDEKRDRRDLDNLAALNAAEGNENEFWGFYGAQLNPNLHPDLRNRQSRNYDRQYLGSTVTYTGKAERCTYNAKFIEALDRYLAEAGLQITMDNTSGQRFMGNSVIGNNMVSGQAQVH; C: GDARASEALTVFTRLKEQAVAQQDLADDFSILRFDRDQHQVGWSSLVIAKQISLNGQPVIAVRPLILPNNSIELPDIDVGTVFSAQYFNRLSTYVQNTLGKPGAKVVLAGPFPIPADLVLKDSELQLRNLLIKSVNACDDILALHSGERPFTIAGLKGQQGETLAAKVDIRTQPLHDTVGNPIRADIVVTTQRVRRNGQQENEFYETDVKLNQVAMFTNLERTPPAPWVASVVITDVRNADGIQANTPEMYWFALSNAFRSTHGHAWARPFLPMTGVAKDMKDIGALGWMSALRNRIDTKAANFDDAQFGQLMLSQVQPNPVFQIDLNRMGETAQMDSLQLDAAGGPNAQKAAATIIRQINNLGGGGFERFFDHTTQPILERTGQVIDLGNWFDGDEKRDRRDLDNLAALNAAEGNENEFWGFYGAQLNPNLHPDLRNRQSRNYDRQYLGSTVTYTGKAERCTYNAKFIEALDRYLAEAGLQITMDNTSGQRFMGNSVIGNNMVSGQAQVH; B: GINSQFTRSGNVQGGDARASEALTVFTRLKEQAVAQQDLADDFSILRFDRDQHQVGWSSLVIAKQISLNGQPVIAVRPLILPNNSIELPKRKTNIVNGMQTDVIESDIDVGTVFSAQYFNRLSTYVQNTLGKPGAKVVLAGPFPIPADLVLKDSELQLRNLLIKSVNACDDILALHSGERPFTIAGLKGQQGETLAAKVDIRTQPLHDTVGNPIRADIVVTTQRVDVKLNQVAMFTNLERTPQAQAQTLFPNQPAPWVASVVITDVRNADGIQANTPEMYWFALSNAFRSTHGHAWARPFLPMTGVAKDMKDIGALGWMSALRNRIDTKAANFDDAQFGQLMLSQVQPNPVFQIDLNRMGETAQMDSLQLDAAGGPNAQKAAATIIRQINNLGGGGFERFFDHTTQPILERTGQVIDLGNWFDGDEKRDRRDLDNLAALNAAEGNENEFWGFYGAQLNPNLHPDLRNRQSRNYDRQYLGSTVTYTGKAERCTYNAKFIEALDRYLAEAGLQITMDN; E: GINSQFTRSGNVQGGDARASEALTVFTRLKEQAVAQQDLADDFSILRFDRDQHQVGWSSLVIAKQISLNGQPVIAVRPLILPNNSIELPKRKTNIVNGMQTDVIESDIDVGTVFSAQYFNRLSTYVQNTLGKPGAKVVLAGPFPIPADLVLKDSELQLRNLLIKSVNACDDILALHSGERPFTIAGLKGQQGETLAAKVDIRTQPLHDTVGNPIRADIVVTTQRVDVKLNQVAMFTNLERTPQAQAQTLFPNQPAPWVASVVITDVRNADGIQANTPEMYWFALSNAFRSTHGHAWARPFLPMTGVAKDMKDIGALGWMSALRNRIDTKAANFDDAQFGQLMLSQVQPNPVFQIDLNRMGETAQMDSLQLDAAGGPNAQKAAATIIRQINNLGGGGFERFFDHTTQPILERTGQVIDLGNWFDGDEKRDRRDLDNLAALNAAEGNENEFWGFYGAQLNPNLHPDLRNRQSRNYDRQYLGSTVTYTGKAERCTYNAKFIEALDRYLAEAGLQITMDN
Selected Chain(s)	A,C,B,E
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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 all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:54:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:55:49)

• Minimal score value: -3.9672
• Maximal score value: 1.106
• Average score: -0.9227
• Total score value: -1895.301

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
49	G	E	-1.3726
50	I	E	-0.9292
51	N	E	-1.3829
52	S	E	-1.1261
53	Q	E	-1.4233
54	F	E	-1.0506
55	T	E	-0.6481
56	R	E	-0.9235
57	S	E	-0.9826
58	G	E	0.0000
59	N	E	-1.7999
60	V	E	-1.6837
61	Q	E	-1.9793
62	G	E	-1.7344
63	G	E	-1.5455
64	D	E	-1.8798
65	A	E	-1.1312
66	R	E	-0.9538
67	A	E	0.0000
68	S	E	-1.3024
69	E	E	-1.8589
70	A	E	0.0000
71	L	E	-0.9051
72	T	E	-0.8579
73	V	E	-1.5315
74	F	E	0.0000
75	T	E	-1.5964
76	R	E	-2.7083
77	L	E	-1.9245
78	K	E	-2.2217
79	E	E	-3.5229
80	Q	E	-3.0780
81	A	E	0.0000
82	V	E	-2.1859
83	A	E	-2.0557
84	Q	E	-2.4956
85	Q	E	-2.8055
86	D	E	-2.6562
87	L	E	-1.8659
88	A	E	-1.6498
89	D	E	-2.9196
90	D	E	-2.2648
91	F	E	0.0000
92	S	E	-0.7685
93	I	E	-0.1332
94	L	E	-0.5831
95	R	E	-1.7570
96	F	E	0.0000
97	D	E	-1.9301
98	R	E	0.0000
99	D	E	-2.7147
100	Q	E	-2.2331
101	H	E	-1.6198
102	Q	E	-2.1691
103	V	E	0.0000
104	G	E	0.0000
105	W	E	0.0000
106	S	E	0.0000
107	S	E	0.0000
108	L	E	0.0000
109	V	E	0.0000
110	I	E	0.0000
111	A	E	0.0000
112	K	E	-0.9125
113	Q	E	-0.5060
114	I	E	0.1820
115	S	E	-0.5920
116	L	E	-0.7891
117	N	E	-1.7457
118	G	E	-1.6048
119	Q	E	-1.9738
120	P	E	-1.4667
121	V	E	0.0000
122	I	E	0.0000
123	A	E	0.0000
124	V	E	0.0000
125	R	E	0.0000
126	P	E	0.0000
127	L	E	0.0000
128	I	E	0.0000
129	L	E	0.0000
130	P	E	-0.8490
131	N	E	-1.4573
132	N	E	-2.0382
133	S	E	-1.3423
134	I	E	-1.3635
135	E	E	-2.5301
136	L	E	0.0000
137	P	E	-2.0327
138	K	E	-3.2486
139	R	E	-3.1680
140	K	E	-3.5664
141	T	E	-2.1371
142	N	E	-2.0469
143	I	E	0.0000
144	V	E	-0.9222
145	N	E	-1.8150
146	G	E	-0.9202
147	M	E	-0.4595
148	Q	E	-1.5263
149	T	E	-1.5868
150	D	E	-2.3852
151	V	E	0.0000
152	I	E	0.0000
153	E	E	-3.9672
154	S	E	-3.1047
155	D	E	-3.4467
156	I	E	0.0000
157	D	E	-0.9233
158	V	E	0.0000
159	G	E	0.0000
160	T	E	-0.3550
161	V	E	0.0000
162	F	E	-0.0359
163	S	E	-0.6001
164	A	E	-0.7884
165	Q	E	-2.2167
166	Y	E	0.0000
167	F	E	-0.6213
168	N	E	-1.7860
169	R	E	-1.5822
170	L	E	0.0000
171	S	E	-0.9854
172	T	E	-0.9541
173	Y	E	-0.9287
174	V	E	0.0000
175	Q	E	-1.4569
176	N	E	-1.6418
177	T	E	-0.8445
178	L	E	-0.7594
179	G	E	-1.2708
180	K	E	-1.6862
181	P	E	-1.4839
182	G	E	-1.4137
183	A	E	0.0000
184	K	E	-1.7515
185	V	E	-0.3755
186	V	E	0.3504
187	L	E	0.7489
188	A	E	0.0132
189	G	E	0.0000
190	P	E	0.0000
191	F	E	0.0000
192	P	E	-0.1342
193	I	E	0.0000
194	P	E	0.0000
195	A	E	-0.8209
196	D	E	-1.5131
197	L	E	-0.3850
198	V	E	0.1687
199	L	E	-1.1388
200	K	E	-2.4876
201	D	E	-2.3872
202	S	E	0.0000
203	E	E	-1.9341
204	L	E	-0.0566
205	Q	E	-0.7229
206	L	E	0.0000
207	R	E	-1.2324
208	N	E	-1.0554
209	L	E	0.0000
210	L	E	0.0000
211	I	E	-1.1510
212	K	E	-2.2021
213	S	E	0.0000
214	V	E	0.0000
215	N	E	-1.6993
216	A	E	-1.3285
217	C	E	0.0000
218	D	E	-1.3740
219	D	E	-1.2072
220	I	E	-0.3415
221	L	E	-0.2232
222	A	E	-0.8269
223	L	E	-0.7668
224	H	E	-0.9029
225	S	E	-1.1496
226	G	E	-1.5597
227	E	E	-2.1929
228	R	E	-2.2944
229	P	E	-1.0056
230	F	E	0.1619
231	T	E	-0.1847
232	I	E	-0.1138
233	A	E	-0.4957
234	G	E	-0.6115
235	L	E	-1.0451
236	K	E	-2.6897
237	G	E	-2.3889
238	Q	E	-2.5693
239	Q	E	-2.6593
240	G	E	-2.3473
241	E	E	-2.2875
242	T	E	-1.4373
243	L	E	-0.8102
244	A	E	-0.8842
245	A	E	-1.3460
246	K	E	-2.3517
247	V	E	-1.5787
248	D	E	-1.9386
249	I	E	-0.7700
250	R	E	-0.6077
251	T	E	-0.6006
252	Q	E	-1.6915
253	P	E	-1.1928
254	L	E	-0.6609
255	H	E	-1.2558
256	D	E	-0.9443
257	T	E	-0.8489
258	V	E	0.0000
259	G	E	-0.9265
260	N	E	-1.0099
261	P	E	0.0000
262	I	E	-0.3408
263	R	E	0.0000
264	A	E	0.0000
265	D	E	0.0000
266	I	E	0.0000
267	V	E	0.0000
268	V	E	0.0000
269	T	E	0.0000
270	T	E	0.0000
271	Q	E	-1.1874
272	R	E	-0.9611
273	V	E	0.1917
287	D	E	-1.7981
288	V	E	-1.1124
289	K	E	-1.4501
290	L	E	0.0000
291	N	E	0.0000
292	Q	E	-0.9082
293	V	E	0.0000
294	A	E	0.0000
295	M	E	0.0000
296	F	E	0.0000
297	T	E	0.0000
298	N	E	0.0000
299	L	E	0.0000
300	E	E	0.0000
301	R	E	0.0000
302	T	E	-0.1148
303	P	E	0.0000
304	Q	E	-0.9809
305	A	E	-0.7196
306	Q	E	0.0000
307	A	E	0.0000
308	Q	E	-1.3361
309	T	E	-0.3115
310	L	E	0.5364
311	F	E	0.0000
312	P	E	-0.5740
313	N	E	-1.0504
314	Q	E	-1.3873
320	P	E	-0.4381
321	A	E	-0.3251
322	P	E	-0.4843
323	W	E	0.0000
324	V	E	0.0000
325	A	E	0.0000
326	S	E	0.0000
327	V	E	0.0000
328	V	E	0.0000
329	I	E	0.0000
330	T	E	0.0033
331	D	E	0.0000
332	V	E	-0.1687
333	R	E	-1.1102
334	N	E	-1.2833
335	A	E	-1.5923
336	D	E	-2.3110
337	G	E	-1.6189
338	I	E	-0.9759
339	Q	E	-1.9535
340	A	E	-1.4781
341	N	E	-1.8446
342	T	E	-0.4948
343	P	E	-0.1304
344	E	E	0.0000
345	M	E	-0.0647
346	Y	E	-0.1051
347	W	E	0.0000
348	F	E	0.0000
349	A	E	0.0000
350	L	E	0.0000
351	S	E	0.0000
352	N	E	0.0000
353	A	E	0.0000
354	F	E	0.0000
355	R	E	0.0000
356	S	E	0.0000
357	T	E	0.0000
358	H	E	-1.3681
359	G	E	-1.7707
360	H	E	-1.4988
361	A	E	-1.3080
362	W	E	0.0000
363	A	E	0.0000
364	R	E	-1.8161
365	P	E	-0.6721
366	F	E	0.0000
367	L	E	-0.4950
368	P	E	-0.3579
369	M	E	0.1204
370	T	E	0.2555
371	G	E	-0.1911
372	V	E	0.3223
373	A	E	-0.7803
374	K	E	-1.5868
375	D	E	-2.1811
376	M	E	-1.2501
377	K	E	-1.1637
378	D	E	-1.3396
379	I	E	-0.3471
380	G	E	0.0000
381	A	E	0.0000
382	L	E	0.0000
383	G	E	0.0000
384	W	E	-1.3826
385	M	E	0.0000
386	S	E	-0.0665
387	A	E	0.4988
388	L	E	0.4590
389	R	E	-1.6522
390	N	E	-2.3807
391	R	E	-1.7480
392	I	E	-1.2036
393	D	E	-2.2643
394	T	E	-1.4696
395	K	E	-1.9076
396	A	E	-1.1754
397	A	E	-0.6892
398	N	E	-1.5180
399	F	E	-0.2999
400	D	E	-1.5697
401	D	E	-2.1870
402	A	E	-1.6067
403	Q	E	-1.6166
404	F	E	-0.8200
405	G	E	-0.9540
406	Q	E	-1.0242
407	L	E	-0.2723
408	M	E	0.0000
409	L	E	0.8331
410	S	E	0.1388
411	Q	E	-0.0760
412	V	E	0.0000
413	Q	E	-0.2488
414	P	E	-0.4018
415	N	E	-0.8445
416	P	E	0.0000
417	V	E	0.0000
418	F	E	0.0000
419	Q	E	0.0000
420	I	E	0.0000
421	D	E	0.0000
422	L	E	0.0000
423	N	E	-1.0963
424	R	E	-1.3608
425	M	E	0.0000
426	G	E	0.0000
427	E	E	-1.1181
428	T	E	-0.8632
429	A	E	0.0000
430	Q	E	-0.5910
431	M	E	-0.3567
432	D	E	-0.7402
433	S	E	-0.7333
434	L	E	-0.6305
435	Q	E	0.0000
436	L	E	0.0000
437	D	E	-1.7902
438	A	E	-1.4297
439	A	E	-1.1278
440	G	E	-1.2821
441	G	E	-1.2619
442	P	E	-1.4313
443	N	E	-2.0953
444	A	E	-1.9897
445	Q	E	-2.4863
446	K	E	-2.6218
447	A	E	0.0000
448	A	E	-1.5518
449	A	E	-1.4780
450	T	E	-1.2912
451	I	E	0.0000
452	I	E	0.0000
453	R	E	-2.3970
454	Q	E	-1.3777
455	I	E	0.0000
456	N	E	-1.7872
457	N	E	-1.4065
458	L	E	0.0000
459	G	E	-0.9393
460	G	E	-1.0199
461	G	E	-1.5584
462	G	E	-1.8092
463	F	E	0.0000
464	E	E	-3.3750
465	R	E	-2.9191
466	F	E	-1.8328
467	F	E	-1.7769
468	D	E	-2.2634
469	H	E	-1.5130
470	T	E	-1.0236
471	T	E	-0.9686
472	Q	E	-1.4643
473	P	E	-1.1333
474	I	E	0.0000
475	L	E	0.0000
476	E	E	-1.2850
477	R	E	-1.4898
478	T	E	-0.6701
479	G	E	-0.9325
480	Q	E	-0.5161
481	V	E	-0.0639
482	I	E	0.0000
483	D	E	0.0000
484	L	E	0.0333
485	G	E	0.0000
486	N	E	-0.0441
487	W	E	0.0000
488	F	E	-0.1408
489	D	E	-2.2856
490	G	E	-2.3487
491	D	E	-3.1923
492	E	E	-3.3640
493	K	E	-2.1165
494	R	E	-1.5727
495	D	E	0.0000
496	R	E	0.0000
497	R	E	0.0000
498	D	E	0.0000
499	L	E	0.0000
500	D	E	-0.2830
501	N	E	0.0000
502	L	E	0.0000
503	A	E	0.0000
504	A	E	0.0000
505	L	E	0.0000
506	N	E	0.0000
507	A	E	-1.0171
508	A	E	-1.6702
509	E	E	-2.6291
510	G	E	-2.8104
511	N	E	-3.1316
512	E	E	-3.4552
513	N	E	-3.0235
514	E	E	-2.3475
515	F	E	0.0000
516	W	E	0.0000
517	G	E	-1.3010
518	F	E	0.0000
519	Y	E	0.0000
520	G	E	0.0000
521	A	E	0.0000
522	Q	E	-0.3659
523	L	E	-0.3407
524	N	E	-1.0406
525	P	E	-1.0436
526	N	E	-1.8055
527	L	E	-0.7651
528	H	E	-0.7372
529	P	E	-0.7419
530	D	E	-1.6013
531	L	E	-1.0809
532	R	E	-1.2355
533	N	E	-1.3475
534	R	E	-2.5698
535	Q	E	-1.8163
536	S	E	-1.4563
537	R	E	-1.7546
538	N	E	-1.9325
539	Y	E	-1.1977
540	D	E	0.0000
541	R	E	-1.5504
542	Q	E	-1.3813
543	Y	E	-0.6019
544	L	E	-0.2393
545	G	E	-0.6415
546	S	E	-0.4651
547	T	E	-0.0024
548	V	E	0.3521
549	T	E	0.1036
550	Y	E	0.1259
551	T	E	-0.3215
552	G	E	-0.4938
553	K	E	-0.8374
554	A	E	0.0000
555	E	E	-0.8761
556	R	E	0.0000
557	C	E	0.0000
558	T	E	0.0000
559	Y	E	0.0000
560	N	E	-1.0079
561	A	E	-0.8723
562	K	E	-1.2974
563	F	E	0.0000
564	I	E	0.0000
565	E	E	-1.5472
566	A	E	0.0000
567	L	E	0.0000
568	D	E	0.0000
569	R	E	-2.1744
570	Y	E	0.0000
571	L	E	0.0000
572	A	E	-1.5151
573	E	E	-2.2611
574	A	E	-1.2533
575	G	E	-1.2065
576	L	E	-1.1063
577	Q	E	-1.5116
578	I	E	0.0000
579	T	E	-0.9254
580	M	E	-1.4480
581	D	E	-2.7468
582	N	E	-2.4657
63	G	A	-0.9732
64	D	A	-1.0799
65	A	A	-0.6642
66	R	A	-0.7211
67	A	A	0.0000
68	S	A	-0.7407
69	E	A	-1.0772
70	A	A	0.0000
71	L	A	-0.2906
72	T	A	-0.6809
73	V	A	-1.4860
74	F	A	0.0000
75	T	A	-1.5765
76	R	A	-2.8983
77	L	A	0.0000
78	K	A	-2.2921
79	E	A	-2.8408
80	Q	A	-2.2842
81	A	A	0.0000
82	V	A	-1.3332
83	A	A	-1.3926
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