Project name: 612034e18fd8f66

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[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 all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:41:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:43:27)

• Minimal score value: -4.1768
• Maximal score value: 3.9154
• Average score: -0.3736
• Total score value: -1145.4068

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
1	M	A	1.4618
2	P	A	0.0000
3	N	A	-0.7849
4	F	A	1.1703
5	F	A	0.0000
6	I	A	0.0000
7	D	A	-1.9628
8	R	A	-0.8839
9	P	A	-0.2267
10	I	A	0.2705
11	F	A	0.3985
12	A	A	0.0000
13	W	A	1.1067
14	V	A	0.0000
15	I	A	1.2449
16	A	A	0.0000
17	I	A	1.4581
18	I	A	2.0812
19	I	A	1.6246
20	M	A	1.5977
21	L	A	1.8843
22	A	A	1.8219
23	G	A	0.0000
24	G	A	1.7229
25	L	A	2.2640
26	A	A	1.3139
27	I	A	1.7851
28	L	A	1.7132
29	K	A	-0.3306
30	L	A	0.0000
31	P	A	-0.3889
32	V	A	-0.2770
33	A	A	-0.0314
34	Q	A	-0.0876
35	Y	A	0.1799
36	P	A	0.0486
37	T	A	-0.1498
38	I	A	0.0000
39	A	A	-0.4406
40	P	A	-0.9162
41	P	A	-1.1119
42	A	A	-0.6765
43	V	A	0.0000
44	T	A	-0.7038
45	I	A	0.0000
46	S	A	-0.4391
47	A	A	0.0000
48	S	A	-0.4340
49	Y	A	0.0000
50	P	A	-0.4134
51	G	A	-0.1382
52	A	A	0.0000
53	D	A	0.0000
54	A	A	0.0000
55	K	A	-1.1119
56	T	A	0.0000
57	V	A	0.0000
58	Q	A	-0.5536
59	D	A	0.0000
60	T	A	0.0000
61	V	A	0.0000
62	T	A	0.0000
63	Q	A	0.0000
64	V	A	0.0302
65	I	A	0.0000
66	E	A	0.0000
67	Q	A	-0.6966
68	N	A	-0.7371
69	M	A	0.0000
70	N	A	-0.7889
71	G	A	-0.5990
72	I	A	0.0000
73	D	A	-0.9500
74	N	A	-1.6205
75	L	A	-0.7216
76	M	A	-0.4889
77	Y	A	-0.1306
78	M	A	0.0000
79	S	A	-0.2283
80	S	A	0.0000
81	N	A	-0.4590
82	S	A	0.0000
83	D	A	0.0000
84	S	A	-0.4130
85	T	A	-0.2945
86	G	A	0.0000
87	T	A	-0.2935
88	V	A	0.0000
89	Q	A	-0.5267
90	I	A	0.0000
91	T	A	-0.3005
92	L	A	0.0000
93	T	A	0.0000
94	F	A	0.0000
95	E	A	-2.4521
96	S	A	-1.7220
97	G	A	-1.6862
98	T	A	-1.9397
99	D	A	-2.2870
100	A	A	-1.4684
101	D	A	-0.8800
102	I	A	-0.4747
103	A	A	0.0000
104	Q	A	0.0000
105	V	A	0.0000
106	Q	A	0.0000
107	V	A	0.0000
108	Q	A	0.0000
109	N	A	-0.3655
110	K	A	-0.5045
111	L	A	0.0000
112	Q	A	-0.3952
113	L	A	0.0000
114	A	A	0.0000
115	M	A	-0.2246
116	P	A	-0.5464
117	L	A	-0.1173
118	L	A	0.0000
119	P	A	-0.9767
120	Q	A	-1.8416
121	E	A	-1.7332
122	V	A	0.0000
123	Q	A	-1.4060
124	Q	A	-1.2739
125	Q	A	-0.6960
126	G	A	-0.4801
127	V	A	0.0000
128	S	A	-0.3222
129	V	A	0.0000
130	E	A	-1.5234
131	K	A	-1.6486
132	S	A	-0.9981
133	S	A	-0.5638
134	S	A	-0.2849
135	S	A	0.1239
136	F	A	0.3784
137	L	A	0.0000
138	M	A	0.0000
139	V	A	0.0000
140	V	A	0.0000
141	G	A	0.0000
142	V	A	0.0000
143	I	A	0.0000
144	N	A	0.0000
145	T	A	-1.5053
146	D	A	-2.1258
147	G	A	-1.4406
148	T	A	-0.8800
149	M	A	-0.6022
150	T	A	-0.4322
151	Q	A	-0.3210
152	E	A	-0.6370
153	D	A	-0.4215
154	I	A	0.0000
155	S	A	0.0000
156	D	A	0.0000
157	Y	A	-0.2791
158	V	A	0.0000
159	A	A	0.0000
160	A	A	-0.9233
161	N	A	-1.0722
162	M	A	0.0000
163	K	A	-0.8589
164	D	A	-1.1074
165	A	A	-0.9299
166	I	A	0.0000
167	S	A	0.0000
168	R	A	-1.4551
169	T	A	0.0000
170	S	A	-0.8298
171	G	A	-0.9486
172	V	A	0.0000
173	G	A	-0.7116
174	D	A	-0.7359
175	V	A	0.0000
176	Q	A	-0.5256
177	L	A	0.1761
178	F	A	0.4620
179	G	A	-0.1114
180	S	A	-0.4291
181	Q	A	-0.3605
182	Y	A	-0.1914
183	A	A	0.0000
184	M	A	0.0000
185	R	A	0.0000
186	I	A	0.0000
187	W	A	0.0000
188	M	A	0.0000
189	N	A	0.0000
190	P	A	0.0000
191	N	A	-1.6590
192	E	A	-2.5171
193	L	A	0.0000
194	N	A	-1.7642
195	K	A	-2.0974
196	F	A	-1.0550
197	Q	A	-1.7006
198	L	A	0.0000
199	T	A	0.0000
200	P	A	0.0000
201	V	A	-0.0584
202	D	A	-0.2975
203	V	A	0.0000
204	I	A	0.0980
205	T	A	-0.2193
206	A	A	0.0000
207	I	A	0.0000
208	K	A	-0.9592
209	A	A	-0.6530
210	Q	A	-0.6017
211	N	A	0.0000
212	A	A	-0.3604
213	Q	A	-0.1151
214	V	A	0.1632
215	A	A	-0.0797
216	A	A	-0.2254
217	G	A	-0.4736
218	Q	A	-0.3968
219	L	A	0.0000
220	G	A	0.0000
221	G	A	0.0000
222	T	A	-0.3298
223	P	A	-0.4579
224	P	A	-0.6135
225	V	A	-0.7640
226	K	A	-1.8430
227	G	A	-1.6470
228	Q	A	0.0000
229	Q	A	-1.3490
230	L	A	-0.2705
231	N	A	0.0000
232	A	A	0.0000
233	S	A	0.0000
234	I	A	0.0000
235	I	A	0.0000
236	A	A	0.0000
237	Q	A	-0.4199
238	T	A	-0.2306
239	R	A	-0.4176
240	L	A	-0.7102
241	T	A	-0.8807
242	S	A	-1.4677
243	T	A	-1.8702
244	E	A	-3.0841
245	E	A	-2.6883
246	F	A	0.0000
247	G	A	0.0000
248	K	A	-2.8083
249	I	A	0.0000
250	L	A	-0.7311
251	L	A	0.0000
252	K	A	-0.5524
253	V	A	-0.9193
254	N	A	-2.4183
255	Q	A	-2.7744
256	D	A	-3.0654
257	G	A	-2.0736
258	S	A	-1.8976
259	R	A	-1.6472
260	V	A	0.0000
261	L	A	-1.1617
262	L	A	0.0000
263	R	A	-3.2352
264	D	A	-1.9969
265	V	A	0.0000
266	A	A	-1.6563
267	K	A	-1.9299
268	I	A	-1.7981
269	E	A	-1.1863
270	L	A	-0.2570
271	G	A	-0.2787
272	G	A	0.0000
273	E	A	-0.8432
274	N	A	-1.2924
275	Y	A	-0.4036
276	D	A	-0.0109
277	I	A	0.7120
278	I	A	0.4551
279	A	A	0.0000
280	E	A	0.0000
281	F	A	0.0000
282	N	A	-0.9990
283	G	A	-0.9475
284	Q	A	-1.0376
285	P	A	-0.5541
286	A	A	0.0000
287	S	A	0.0000
288	G	A	0.0000
289	L	A	0.0000
290	G	A	0.0000
291	I	A	0.0000
292	K	A	-0.2317
293	L	A	0.0763
294	A	A	-0.4993
295	T	A	-0.5804
296	G	A	-0.9608
297	A	A	-0.7052
298	N	A	-0.9279
299	A	A	0.0000
300	L	A	-0.8412
301	D	A	-1.7488
302	T	A	0.0000
303	A	A	0.0000
304	A	A	-0.9087
305	A	A	-0.9359
306	I	A	0.0000
307	R	A	-1.3125
308	A	A	-1.0627
309	E	A	-1.6520
310	L	A	0.0000
311	A	A	-1.6301
312	K	A	-2.2243
313	M	A	0.0000
314	E	A	-2.1829
315	P	A	-0.6548
316	F	A	0.6851
317	F	A	0.0000
318	P	A	-0.3356
319	S	A	-0.7683
320	G	A	0.0000
321	L	A	0.0000
322	K	A	-1.9042
323	I	A	-0.7762
324	V	A	0.0709
325	Y	A	0.3396
326	P	A	0.0000
327	Y	A	0.2387
328	D	A	-0.0168
329	T	A	0.0000
330	T	A	0.0000
331	P	A	-0.2693
332	F	A	0.0260
333	V	A	0.0000
334	K	A	-0.7079
335	I	A	-0.0498
336	S	A	-0.3548
337	I	A	-0.4617
338	H	A	-1.2162
339	E	A	-0.6486
340	V	A	0.0000
341	V	A	0.0465
342	K	A	-1.4000
343	T	A	0.0000
344	L	A	0.0000
345	V	A	0.9516
346	E	A	-0.4428
347	A	A	0.0000
348	I	A	1.0170
349	I	A	1.6467
350	L	A	1.4516
351	V	A	0.0000
352	F	A	2.0086
353	L	A	2.1961
354	V	A	0.0000
355	M	A	0.0000
356	Y	A	1.2944
357	L	A	1.5006
358	F	A	0.6685
359	L	A	0.0000
360	Q	A	-0.2429
361	N	A	-0.3751
362	F	A	0.6813
363	R	A	-0.9743
364	A	A	0.0000
365	T	A	0.0000
366	L	A	0.7107
367	I	A	0.0000
368	P	A	0.0000
369	T	A	0.9528
370	I	A	0.6131
371	A	A	0.0000
372	V	A	0.0000
373	P	A	0.5425
374	V	A	0.0000
375	V	A	0.0000
376	L	A	0.0000
377	L	A	0.7821
378	G	A	0.0000
379	T	A	0.0000
380	F	A	0.0000
381	A	A	1.0109
382	V	A	0.9857
383	L	A	0.0000
384	A	A	0.8138
385	A	A	1.0588
386	F	A	1.9699
387	G	A	0.5991
388	F	A	0.7535
389	S	A	0.2081
390	I	A	0.4391
391	N	A	0.0000
392	T	A	0.0776
393	L	A	0.0000
394	T	A	0.0000
395	M	A	0.0000
396	F	A	0.0000
397	G	A	0.0000
398	M	A	0.0000
399	V	A	0.0000
400	L	A	0.0000
401	A	A	0.0000
402	I	A	0.0000
403	G	A	0.0000
404	L	A	0.0000
405	L	A	0.0000
406	V	A	0.0000
407	D	A	0.0000
408	D	A	0.0000
409	A	A	0.0000
410	I	A	0.0000
411	V	A	0.0000
412	V	A	0.0000
413	V	A	0.0000
414	E	A	0.0000
415	N	A	0.0000
416	V	A	0.0000
417	E	A	0.0000
418	R	A	-1.4334
419	V	A	0.0000
420	M	A	-1.3161
421	A	A	-1.5980
422	E	A	-2.7520
423	E	A	-2.6670
424	G	A	-1.4212
425	L	A	-0.0500
426	P	A	-0.2971
427	P	A	-0.9416
428	K	A	-1.7504
429	E	A	-2.0695
430	A	A	0.0000
431	T	A	0.0000
432	R	A	-2.7639
433	K	A	-2.5463
434	S	A	0.0000
435	M	A	0.0000
436	G	A	-1.6453
437	Q	A	-1.0784
438	I	A	0.0000
439	Q	A	-0.6445
440	G	A	-0.0610
441	A	A	0.0000
442	L	A	0.0000
443	V	A	1.4105
444	G	A	0.0000
445	I	A	0.0000
446	A	A	0.0000
447	M	A	1.3814
448	V	A	0.0000
449	L	A	0.0000
450	S	A	0.6876
451	A	A	0.0000
452	V	A	0.9588
453	F	A	0.0000
454	V	A	0.9217
455	P	A	0.8677
456	M	A	0.0000
457	A	A	0.0000
458	F	A	1.7989
459	F	A	0.4689
460	G	A	-0.3121
461	G	A	-0.3967
462	S	A	-0.2700
463	T	A	-0.2457
464	G	A	0.0000
465	A	A	-0.2156
466	I	A	0.0000
467	Y	A	-0.1249
468	R	A	-0.5219
469	Q	A	0.0000
470	F	A	0.0000
471	S	A	0.0000
472	I	A	0.5549
473	T	A	0.0000
474	I	A	0.0000
475	V	A	0.5389
476	S	A	0.0000
477	A	A	0.0000
478	M	A	0.0000
479	A	A	0.6597
480	L	A	0.6239
481	S	A	0.0000
482	V	A	0.7194
483	L	A	0.8410
484	V	A	0.0000
485	A	A	0.0000
486	L	A	0.0000
487	I	A	0.0000
488	L	A	0.0000
489	T	A	0.0000
490	P	A	0.0000
491	A	A	0.0000
492	L	A	0.0000
493	C	A	0.0000
494	A	A	0.0000
495	T	A	-0.6802
496	M	A	-0.4948
497	L	A	0.0000
498	K	A	-1.8662
513	F	A	1.9811
514	G	A	0.8121
515	W	A	1.4751
516	F	A	0.6794
517	N	A	-0.7692
518	R	A	-2.1724
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529	D	A	-2.4251
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