Project name: 309

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:11)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:39)

• Minimal score value: -3.2787
• Maximal score value: 2.1005
• Average score: -0.5057
• Total score value: -995.1561

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	A	A	-0.1135
2	R	A	-1.8769
3	A	A	-0.4568
4	V	A	0.6841
5	V	A	-0.0548
6	K	A	-0.7913
7	D	A	-1.5494
8	Q	A	-1.0704
9	F	A	0.0000
10	V	A	-0.2859
11	G	A	-0.6773
12	L	A	0.0000
13	E	A	0.0000
14	Q	A	-0.8672
15	T	A	0.0000
16	L	A	0.0000
17	E	A	-0.9046
18	R	A	-1.6820
19	K	A	0.0000
20	M	A	0.0000
21	V	A	0.9227
22	S	A	-0.3368
23	V	A	0.0000
24	F	A	0.1456
25	G	A	0.1036
26	S	A	0.0000
27	T	A	-0.5487
28	G	A	-0.4788
29	H	A	0.0000
30	E	A	-0.6279
31	V	A	-0.8305
32	H	A	-0.8846
33	L	A	0.0000
34	L	A	0.0000
35	P	A	-0.3751
36	I	A	-0.1709
37	F	A	0.0000
38	A	A	0.0000
39	Q	A	-0.3248
40	A	A	0.0000
41	A	A	0.0000
42	N	A	0.1281
43	L	A	0.1243
44	H	A	0.0000
45	L	A	0.0000
46	M	A	0.1129
47	L	A	0.0000
48	L	A	0.0000
49	R	A	-0.7390
50	D	A	-0.7959
51	A	A	0.0000
52	E	A	-1.6505
53	K	A	-1.7748
54	Y	A	-1.2822
55	G	A	0.0000
56	N	A	-2.9858
57	R	A	-2.7642
58	W	A	-1.6280
59	G	A	-2.0810
60	W	A	0.0000
61	T	A	-2.4913
62	D	A	-3.2712
63	R	A	-2.9664
64	E	A	-2.2711
65	I	A	0.0000
66	Q	A	-1.6542
67	V	A	-0.4406
68	Y	A	-0.4818
69	Y	A	-1.0894
70	D	A	-1.4640
71	N	A	-0.9521
72	Q	A	0.0000
73	V	A	-0.9191
74	R	A	-2.1269
75	Y	A	0.0000
76	I	A	0.0000
77	H	A	-1.5250
78	E	A	-1.7146
79	Y	A	0.0000
80	T	A	0.0000
81	D	A	0.0000
82	H	A	-0.9483
83	C	A	0.0000
84	V	A	-0.8583
85	K	A	-1.7194
86	Y	A	-1.0873
87	Y	A	0.0000
88	N	A	-1.8384
89	Q	A	-1.6344
90	G	A	0.0000
91	L	A	-1.5236
92	S	A	-1.8129
93	K	A	-2.3666
94	L	A	-1.9838
95	K	A	-2.5686
96	G	A	-1.7854
97	S	A	-1.1419
98	T	A	-1.2865
99	Y	A	0.0000
100	Q	A	-1.9896
101	D	A	-2.1486
102	W	A	0.0000
103	D	A	-1.8049
104	K	A	-2.7119
105	Y	A	0.0000
106	N	A	0.0000
107	R	A	-2.2047
108	Y	A	-1.3813
109	R	A	-1.2384
110	R	A	0.0000
111	E	A	-2.0265
112	M	A	0.0000
113	T	A	0.0000
114	L	A	-0.3358
115	T	A	-0.3696
116	V	A	0.0000
117	L	A	0.0000
118	D	A	0.1972
119	L	A	0.4128
120	I	A	0.0000
121	S	A	0.3912
122	I	A	1.0144
123	F	A	0.0000
124	P	A	0.2716
125	S	A	-0.0493
126	Y	A	-0.0203
127	D	A	-0.6125
128	T	A	-1.0360
129	R	A	-1.2130
130	T	A	-0.6167
131	Y	A	0.0000
132	P	A	-0.5225
133	I	A	-0.1704
134	D	A	-1.5262
135	T	A	-0.6519
136	I	A	0.2286
137	G	A	0.3171
138	Q	A	0.0366
139	L	A	-0.0369
140	T	A	0.0000
141	R	A	-0.5175
142	E	A	-0.4342
143	V	A	0.0000
144	Y	A	0.0000
145	S	A	0.0000
146	D	A	-0.7361
147	L	A	0.0000
148	L	A	0.0000
149	I	A	0.0000
150	A	A	0.0000
151	N	A	-1.4439
152	S	A	-1.1551
153	S	A	-1.1688
154	G	A	-1.1965
155	I	A	0.0000
156	Q	A	-1.6277
157	P	A	-1.0344
158	F	A	-0.5894
159	T	A	-1.0459
160	N	A	0.0000
161	T	A	-0.9756
162	D	A	-1.0257
163	F	A	0.0000
164	D	A	-0.9749
165	N	A	-1.4813
166	I	A	-0.1938
167	L	A	0.0000
168	I	A	-0.5952
169	R	A	-1.1501
170	K	A	-1.9342
171	P	A	-1.0818
172	H	A	-0.6894
173	L	A	0.0000
174	M	A	0.0000
175	D	A	0.0000
176	F	A	0.0000
177	L	A	0.0000
178	R	A	-0.3664
179	H	A	0.2671
180	L	A	0.0000
181	E	A	0.0000
182	I	A	0.0000
183	F	A	0.0000
184	T	A	0.0000
185	D	A	-1.0437
186	R	A	-1.4070
187	H	A	0.0000
188	N	A	-1.3448
189	A	A	-1.0179
190	S	A	-1.4716
191	R	A	-2.3924
192	H	A	-1.7952
193	N	A	0.0000
194	V	A	0.0000
195	Y	A	0.0000
196	W	A	0.0000
197	G	A	0.0000
198	G	A	0.0000
199	H	A	0.0000
200	R	A	0.1926
201	V	A	0.0000
202	H	A	0.7743
203	F	A	0.6576
204	S	A	0.0000
205	R	A	-0.8385
206	A	A	0.0000
207	G	A	-1.1021
208	D	A	-1.1957
209	N	A	-1.3283
210	T	A	-0.0757
211	Y	A	1.1604
212	H	A	1.0912
213	I	A	2.1005
214	S	A	0.0000
215	P	A	0.4365
216	L	A	0.4125
217	Y	A	-0.1694
218	G	A	-0.7771
219	S	A	-1.1852
220	E	A	-1.8171
221	A	A	-1.4707
222	N	A	-1.4901
223	V	A	-0.1705
224	E	A	-0.6682
225	P	A	-0.5810
226	T	A	-0.2828
227	T	A	0.3870
228	Y	A	1.1752
229	L	A	0.0000
230	S	A	-0.6289
231	F	A	0.0000
232	G	A	-1.4626
233	D	A	-2.0835
234	S	A	-1.2784
235	Q	A	-0.7844
236	V	A	0.0000
237	Y	A	0.0940
238	R	A	-0.4293
239	I	A	0.0000
240	H	A	-0.7489
241	S	A	0.0000
242	K	A	-0.6430
243	P	A	-0.6195
244	E	A	-0.8310
245	W	A	-0.8482
246	D	A	-1.4210
247	R	A	-2.0409
248	G	A	-1.2764
249	S	A	-0.4751
250	T	A	-0.0387
251	A	A	0.7925
252	I	A	1.7737
253	S	A	0.3815
254	G	A	-0.6608
255	S	A	-0.6182
256	Y	A	-1.1566
257	E	A	0.0000
258	F	A	0.0000
259	R	A	0.0000
260	G	A	0.0000
261	V	A	0.0000
262	T	A	0.0000
263	G	A	0.0000
264	C	A	0.0000
265	S	A	0.0000
266	F	A	0.0000
267	Y	A	-0.0419
268	R	A	0.0000
269	M	A	-0.2692
270	G	A	-0.7966
271	N	A	-1.1759
272	F	A	-0.4861
273	P	A	-0.4568
274	G	A	-0.4276
275	T	A	-0.2478
276	V	A	0.0000
277	A	A	0.0000
278	L	A	0.0000
279	T	A	-0.1967
280	Y	A	0.0000
281	R	A	-0.5821
282	Q	A	-0.0544
283	F	A	1.2877
284	G	A	-0.0971
285	P	A	-0.8768
286	E	A	-1.7636
287	L	A	-0.9945
288	T	A	-1.1551
289	E	A	-1.0092
290	L	A	0.0000
291	P	A	-0.5394
292	W	A	-0.4499
293	G	A	-1.1465
294	D	A	-2.2785
295	N	A	-2.1146
296	G	A	0.0000
297	P	A	-0.5220
298	S	A	-0.5054
299	H	A	0.0000
300	R	A	0.0000
301	L	A	0.0000
302	C	A	0.0000
303	H	A	0.0000
304	V	A	0.0000
305	T	A	0.0000
306	Y	A	0.0000
307	F	A	0.0000
308	R	A	-1.2513
309	R	A	-1.0133
310	S	A	-0.9203
311	Q	A	-0.9443
312	A	A	-0.5848
313	V	A	-0.1056
314	G	A	-0.4419
315	A	A	-0.2218
316	T	A	-0.6058
317	S	A	-0.9308
318	R	A	-1.3801
319	Q	A	-1.4391
320	T	A	0.0000
321	L	A	0.0000
322	T	A	0.0000
323	S	A	0.0000
324	G	A	0.0000
325	L	A	0.0000
326	L	A	0.0000
327	F	A	0.0000
328	S	A	0.0000
329	W	A	0.0000
330	T	A	0.0000
331	H	A	-0.3130
332	S	A	-0.4556
333	S	A	-0.1384
334	A	A	0.0000
335	A	A	-0.2966
336	E	A	-0.9427
337	T	A	-0.5633
338	N	A	0.0000
339	T	A	-0.7269
340	I	A	0.0000
341	D	A	-1.3619
342	P	A	-1.3732
343	E	A	-2.1482
344	R	A	-1.4499
345	I	A	0.0000
346	N	A	0.0000
347	Q	A	0.0000
348	I	A	0.0000
349	P	A	0.0000
350	L	A	0.0000
351	V	A	0.0000
352	K	A	0.0000
353	G	A	0.0000
354	F	A	0.0000
355	R	A	-0.6584
356	V	A	-0.1256
357	W	A	-0.4411
358	G	A	-0.8013
359	G	A	-1.0311
360	T	A	-0.7104
361	S	A	-0.4221
362	V	A	-0.2413
363	I	A	-0.2541
364	T	A	-0.5147
365	G	A	-0.2850
366	P	A	-0.3491
367	G	A	-0.5011
368	F	A	0.0000
369	T	A	0.0000
370	G	A	-0.1521
371	G	A	-0.4478
372	D	A	-0.5289
373	I	A	0.0000
374	L	A	0.0000
375	R	A	-0.9620
376	R	A	0.0000
377	N	A	-1.5546
378	T	A	-0.5307
379	F	A	-0.1034
380	G	A	-0.5672
381	D	A	-0.8219
382	F	A	0.0000
383	V	A	0.0000
384	S	A	0.0000
385	L	A	0.0000
386	Q	A	-0.8262
387	V	A	0.0000
388	N	A	-1.3540
389	I	A	0.0000
390	N	A	-1.7229
391	S	A	-1.0387
392	P	A	-0.5507
393	I	A	-0.3008
394	T	A	-0.4730
395	Q	A	-0.9958
396	R	A	-1.9714
397	Y	A	0.0000
398	R	A	-1.2103
399	L	A	0.0000
400	R	A	0.0000
401	F	A	0.0000
402	R	A	0.0000
403	Y	A	0.0000
404	A	A	0.0000
405	S	A	0.0000
406	S	A	0.0000
407	R	A	0.0000
408	D	A	-2.2909
409	A	A	0.0000
410	R	A	-0.9520
411	V	A	0.0000
412	I	A	-0.2654
413	V	A	0.0000
414	L	A	0.1128
415	T	A	0.0000
416	G	A	-1.0031
417	A	A	-0.3986
418	A	A	0.1450
419	S	A	-0.2653
420	T	A	0.0624
421	G	A	0.0000
422	V	A	1.0081
423	G	A	-0.0241
424	G	A	-0.6569
425	Q	A	-0.8456
426	V	A	0.6877
427	S	A	-0.2195
428	V	A	0.0000
429	N	A	-0.9673
430	M	A	-1.1314
431	P	A	-1.4512
432	L	A	0.0000
433	Q	A	-2.3701
434	K	A	-2.0344
435	T	A	-1.5537
436	M	A	0.0000
437	E	A	-1.6371
438	I	A	0.2361
439	G	A	-0.8727
440	E	A	-1.9705
441	N	A	-1.8387
442	L	A	-1.2178
443	T	A	-1.2967
444	S	A	0.0000
445	R	A	-2.3626
446	T	A	0.0000
447	F	A	0.0000
448	R	A	-1.9740
449	Y	A	-0.7062
450	T	A	-1.1496
451	D	A	-1.9503
452	F	A	-0.9849
453	S	A	0.0000
454	N	A	-1.9965
455	P	A	-1.3890
456	F	A	0.0000
457	S	A	-1.0455
458	F	A	0.0000
459	R	A	-1.6205
460	A	A	-1.2001
461	N	A	-1.8547
462	P	A	-1.4863
463	D	A	0.0000
464	I	A	0.0000
465	I	A	0.0000
466	G	A	0.0000
467	I	A	0.0000
468	S	A	0.0000
469	E	A	0.0000
470	Q	A	-0.3244
471	P	A	0.3200
472	L	A	0.4565
473	F	A	1.5251
474	G	A	0.5688
475	A	A	0.7250
476	G	A	0.2395
477	S	A	0.5208
478	I	A	1.6274
479	S	A	0.3501
480	S	A	0.2803
481	G	A	-0.3934
482	E	A	-0.7897
483	L	A	0.0000
484	Y	A	0.0000
485	I	A	0.0000
486	D	A	0.0000
487	K	A	0.0000
488	I	A	0.0000
489	E	A	0.0000
490	I	A	0.0000
491	I	A	-0.1834
492	L	A	-0.4435
1	A	B	-0.1295
2	R	B	-1.8811
3	A	B	-0.4618
4	V	B	0.7122
5	V	B	-0.0281
6	K	B	-0.8098
7	D	B	-1.4770
8	Q	B	-0.7829
9	F	B	0.0000
10	V	B	-0.2285
11	G	B	-0.6137
12	L	B	0.0000
13	E	B	0.0000
14	Q	B	-0.8328
15	T	B	-0.7897
16	L	B	0.0000
17	E	B	-0.9570
18	R	B	-1.7764
19	K	B	0.0000
20	M	B	0.0000
21	V	B	0.6522
22	S	B	-0.4691
23	V	B	0.0000
24	F	B	0.1579
25	G	B	0.0118
26	S	B	-0.3716
27	T	B	-0.6113
28	G	B	-0.6099
29	H	B	0.0000
30	E	B	-0.6536
31	V	B	-0.8550
32	H	B	-0.9664
33	L	B	0.0000
34	L	B	0.0000
35	P	B	-0.4056
36	I	B	-0.2189
37	F	B	0.0000
38	A	B	0.0000
39	Q	B	-0.4865
40	A	B	0.0000
41	A	B	0.0000
42	N	B	0.0063
43	L	B	0.0606
44	H	B	0.0000
45	L	B	0.0000
46	M	B	0.0264
47	L	B	0.0000
48	L	B	0.0000
49	R	B	-1.0689
50	D	B	-1.0975
51	A	B	0.0000
52	E	B	-2.0505
53	K	B	-2.5020
54	Y	B	-1.7028
55	G	B	0.0000
56	N	B	-3.1146
57	R	B	-2.8931
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415	T	D	0.0000
416	G	D	-0.9454
417	A	D	-0.3885
418	A	D	0.1324
419	S	D	-0.2549
420	T	D	0.0636
421	G	D	0.0000
422	V	D	0.9790
423	G	D	-0.0371
424	G	D	-0.6462
425	Q	D	-0.8347
426	V	D	0.6441
427	S	D	-0.2251
428	V	D	0.0000
429	N	D	-1.0332
430	M	D	-1.1241
431	P	D	-1.3328
432	L	D	0.0000
433	Q	D	-2.3264
434	K	D	-2.0823
435	T	D	-1.5891
436	M	D	0.0000
437	E	D	-1.6720
438	I	D	0.2222
439	G	D	-0.8594
440	E	D	-1.9511
441	N	D	-1.8280
442	L	D	-1.2316
443	T	D	-1.3388
444	S	D	0.0000
445	R	D	-2.3310
446	T	D	0.0000
447	F	D	0.0000
448	R	D	-2.0026
449	Y	D	-0.7443
450	T	D	-1.1661
451	D	D	-1.9590
452	F	D	-0.9856
453	S	D	0.0000
454	N	D	-1.9851
455	P	D	-1.2760
456	F	D	0.0000
457	S	D	-0.9676
458	F	D	0.0000
459	R	D	-1.4546
460	A	D	-1.1190
461	N	D	-1.7651
462	P	D	-1.3975
463	D	D	0.0000
464	I	D	0.0000
465	I	D	0.0000
466	G	D	0.0000
467	I	D	0.0000
468	S	D	0.0000
469	E	D	0.0000
470	Q	D	-0.1399
471	P	D	0.5334
472	L	D	0.7956
473	F	D	1.6188
474	G	D	0.5851
475	A	D	0.7346
476	G	D	0.2408
477	S	D	0.5475
478	I	D	1.6225
479	S	D	0.4866
480	S	D	0.3198
481	G	D	-0.3045
482	E	D	-0.6848
483	L	D	0.0000
484	Y	D	0.0000
485	I	D	0.0000
486	D	D	0.0000
487	K	D	0.0000
488	I	D	0.0000
489	E	D	0.0000
490	I	D	0.0000
491	I	D	0.0503
492	L	D	0.0221