Project name: b32fa84a2d45f51

Chain sequence(s)	A: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; C: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; B: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; E: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; D: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; G: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; F: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; H: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY
Selected Chain(s)	A,C,B,E,D,G,F,H
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:26)

• Minimal score value: -3.358
• Maximal score value: 2.1677
• Average score: -0.53
• Total score value: -156.885

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	K	A	-2.7250
2	C	A	-1.5574
3	N	A	-1.9242
4	T	A	-0.8161
5	A	A	-0.0641
6	T	A	0.0000
7	C	A	0.7103
8	A	A	0.0000
9	T	A	-0.5529
10	Q	A	-1.4353
11	R	A	-2.3821
12	L	A	0.0000
13	A	A	-1.2700
14	N	A	-0.6936
15	F	A	0.8725
16	L	A	1.2285
17	V	A	0.0196
18	R	A	-2.1318
19	S	A	-2.0375
20	S	A	-1.8879
21	N	A	-1.9601
22	N	A	-0.8099
23	L	A	1.4759
24	G	A	1.3117
25	P	A	1.3774
26	V	A	2.1622
27	L	A	0.8140
28	P	A	0.0523
29	P	A	-0.6389
30	T	A	-0.8894
31	N	A	-1.4408
32	V	A	-0.4071
33	G	A	-0.9518
34	S	A	-0.9098
35	N	A	-1.0536
36	T	A	0.1146
37	Y	A	1.5905
1	K	B	-3.2950
2	C	B	-2.0427
3	N	B	-1.6551
4	T	B	0.0000
5	A	B	-0.0241
6	T	B	0.0000
7	C	B	0.5129
8	A	B	0.0000
9	T	B	-0.6403
10	Q	B	0.0000
11	R	B	-2.5162
12	L	B	0.0000
13	A	B	0.0000
14	N	B	-1.1220
15	F	B	0.0000
16	L	B	0.0392
17	V	B	0.0000
18	R	B	-2.9274
19	S	B	0.0000
20	S	B	-2.2900
21	N	B	-2.2685
22	N	B	-1.1596
23	L	B	0.6616
24	G	B	0.0000
25	P	B	0.0000
26	V	B	1.5170
27	L	B	0.0000
28	P	B	0.1807
29	P	B	-0.6493
30	T	B	0.0000
31	N	B	-1.4920
32	V	B	0.0000
33	G	B	-1.0134
34	S	B	0.0000
35	N	B	-0.4476
36	T	B	0.0000
37	Y	B	2.0405
1	K	C	-3.3468
2	C	C	-1.7708
3	N	C	-1.4629
4	T	C	0.0000
5	A	C	0.0131
6	T	C	0.0000
7	C	C	0.2686
8	A	C	0.0000
9	T	C	0.0000
10	Q	C	0.0000
11	R	C	-2.2651
12	L	C	0.0000
13	A	C	-1.8654
14	N	C	-1.5520
15	F	C	0.0000
16	L	C	-0.4763
17	V	C	0.0000
18	R	C	-2.7818
19	S	C	0.0000
20	S	C	-2.0616
21	N	C	-2.0230
22	N	C	-1.1888
23	L	C	0.4379
24	G	C	0.0000
25	P	C	0.0000
26	V	C	0.9807
27	L	C	0.0000
28	P	C	0.0445
29	P	C	-0.4515
30	T	C	0.0000
31	N	C	-1.1034
32	V	C	0.0000
33	G	C	-0.8269
34	S	C	0.0000
35	N	C	-0.1553
36	T	C	0.0000
37	Y	C	2.1677
1	K	D	-3.3580
2	C	D	-1.8093
3	N	D	-1.4344
4	T	D	0.0000
5	A	D	-0.0103
6	T	D	0.0000
7	C	D	0.2524
8	A	D	0.0000
9	T	D	-0.6028
10	Q	D	0.0000
11	R	D	-2.4030
12	L	D	0.0000
13	A	D	0.0000
14	N	D	-1.5353
15	F	D	0.0000
16	L	D	0.1831
17	V	D	0.0000
18	R	D	-2.8641
19	S	D	-2.5974
20	S	D	-2.0715
21	N	D	-2.0814
22	N	D	-1.2770
23	L	D	0.2663
24	G	D	0.0000
25	P	D	0.0000
26	V	D	0.9459
27	L	D	0.0000
28	P	D	0.0643
29	P	D	-0.4166
30	T	D	0.0000
31	N	D	-0.9941
32	V	D	0.0000
33	G	D	-0.7941
34	S	D	0.0000
35	N	D	-0.1076
36	T	D	0.0000
37	Y	D	2.1473
1	K	E	-3.3543
2	C	E	-1.8138
3	N	E	-1.3691
4	T	E	0.0000
5	A	E	-0.0095
6	T	E	0.0000
7	C	E	0.2227
8	A	E	0.0000
9	T	E	0.0000
10	Q	E	0.0000
11	R	E	-2.0653
12	L	E	0.0000
13	A	E	-1.7824
14	N	E	-1.4440
15	F	E	0.0000
16	L	E	-0.3939
17	V	E	0.0000
18	R	E	-3.0550
19	S	E	-2.7377
20	S	E	-2.2276
21	N	E	-2.2609
22	N	E	0.0000
23	L	E	0.4220
24	G	E	0.0000
25	P	E	0.0000
26	V	E	0.8664
27	L	E	0.0000
28	P	E	0.0432
29	P	E	-0.4208
30	T	E	0.0000
31	N	E	-1.0256
32	V	E	0.0000
33	G	E	-0.7968
34	S	E	0.0000
35	N	E	-0.1522
36	T	E	0.0000
37	Y	E	2.0185
1	K	F	-3.3393
2	C	F	-1.7478
3	N	F	-1.4641
4	T	F	-0.3365
5	A	F	-0.0087
6	T	F	0.0000
7	C	F	0.2698
8	A	F	0.0000
9	T	F	-0.5968
10	Q	F	0.0000
11	R	F	-2.2826
12	L	F	0.0000
13	A	F	0.0000
14	N	F	-1.6422
15	F	F	0.0000
16	L	F	-0.7106
17	V	F	0.0000
18	R	F	-3.0855
19	S	F	-2.6515
20	S	F	-2.1102
21	N	F	-1.9371
22	N	F	0.0000
23	L	F	0.6845
24	G	F	0.0000
25	P	F	0.0000
26	V	F	0.9118
27	L	F	0.0000
28	P	F	0.0486
29	P	F	-0.4347
30	T	F	0.0000
31	N	F	-1.0495
32	V	F	0.0000
33	G	F	-0.8269
34	S	F	0.0000
35	N	F	-0.1073
36	T	F	0.0000
37	Y	F	2.0040
1	K	G	-3.0734
2	C	G	-1.7689
3	N	G	-1.4391
4	T	G	0.0000
5	A	G	-0.0875
6	T	G	0.0000
7	C	G	0.4252
8	A	G	0.0000
9	T	G	0.0000
10	Q	G	0.0000
11	R	G	-2.5729
12	L	G	0.0000
13	A	G	-1.5030
14	N	G	-0.9692
15	F	G	0.0000
16	L	G	0.2597
17	V	G	0.0000
18	R	G	-2.6046
19	S	G	-2.6198
20	S	G	-2.2071
21	N	G	-1.9657
22	N	G	0.0000
23	L	G	0.4156
24	G	G	0.0000
25	P	G	0.0000
26	V	G	1.2016
27	L	G	0.0000
28	P	G	0.1596
29	P	G	-0.5638
30	T	G	0.0000
31	N	G	-1.3089
32	V	G	0.0000
33	G	G	-0.9518
34	S	G	0.0000
35	N	G	-0.3903
36	T	G	0.0000
37	Y	G	1.9152
1	K	H	-2.3538
2	C	H	-0.9113
3	N	H	-1.3089
4	T	H	-0.4893
5	A	H	-0.1124
6	T	H	0.2399
7	C	H	0.3967
8	A	H	-0.0777
9	T	H	-1.0393
10	Q	H	-2.0641
11	R	H	-2.2780
12	L	H	-0.5561
13	A	H	-0.7299
14	N	H	-0.4449
15	F	H	1.0975
16	L	H	1.3228
17	V	H	-0.2692
18	R	H	-2.2504
19	S	H	-2.1862
20	S	H	-1.8883
21	N	H	-2.1867
22	N	H	-1.7731
23	L	H	0.2730
24	G	H	0.4247
25	P	H	1.0092
26	V	H	1.4497
27	L	H	0.4876
28	P	H	0.1439
29	P	H	-0.5996
30	T	H	-0.9557
31	N	H	-1.4234
32	V	H	-0.4972
33	G	H	-0.8259
34	S	H	-0.8204
35	N	H	-0.8267
36	T	H	0.3250
37	Y	H	1.5291