Project name: 94b410cf9317577

Chain sequence(s)	A: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; C: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; B: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; E: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; D: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; G: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; F: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; I: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; H: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; K: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; J: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY; L: KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,L
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:42)

• Minimal score value: -3.1056
• Maximal score value: 2.0879
• Average score: -0.5352
• Total score value: -237.6112

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	-2.4363
2	C	A	-1.3497
3	N	A	-1.8932
4	T	A	-0.8351
5	A	A	-0.1332
6	T	A	0.3671
7	C	A	0.8012
8	A	A	0.1090
9	T	A	-0.8278
10	Q	A	-1.8960
11	R	A	-2.6020
12	L	A	-1.4522
13	A	A	-1.1717
14	N	A	-0.9764
15	F	A	0.3295
16	L	A	0.5505
17	V	A	-0.3544
18	R	A	-2.3451
19	S	A	-1.8953
20	S	A	-1.8077
21	N	A	-1.6701
22	N	A	-0.6831
23	L	A	1.5255
24	G	A	0.0000
25	P	A	1.3694
26	V	A	2.0613
27	L	A	0.0000
28	P	A	-0.1267
29	P	A	-0.7323
30	T	A	-1.2348
31	N	A	-1.9496
32	V	A	0.0000
33	G	A	-1.2482
34	S	A	-0.9707
35	N	A	-1.0216
36	T	A	0.0000
37	Y	A	1.4134
1	K	B	-3.0526
2	C	B	-1.8638
3	N	B	-1.9795
4	T	B	0.0000
5	A	B	-0.1194
6	T	B	0.0000
7	C	B	0.6736
8	A	B	0.0000
9	T	B	-0.7645
10	Q	B	0.0000
11	R	B	-2.8193
12	L	B	0.0000
13	A	B	-1.6803
14	N	B	-1.3581
15	F	B	0.0000
16	L	B	-0.5151
17	V	B	0.0000
18	R	B	-2.8607
19	S	B	-2.5858
20	S	B	-2.0288
21	N	B	-1.6372
22	N	B	0.0000
23	L	B	0.6490
24	G	B	0.0000
25	P	B	0.0000
26	V	B	1.4230
27	L	B	0.0000
28	P	B	0.0000
29	P	B	-0.9027
30	T	B	0.0000
31	N	B	-2.1956
32	V	B	0.0000
33	G	B	-1.1999
34	S	B	0.0000
35	N	B	-0.2924
36	T	B	0.0000
37	Y	B	1.7177
1	K	C	-2.9429
2	C	C	-1.6305
3	N	C	-1.4830
4	T	C	0.0000
5	A	C	-0.0174
6	T	C	0.0000
7	C	C	0.6114
8	A	C	0.0000
9	T	C	-0.3945
10	Q	C	0.0000
11	R	C	-1.6935
12	L	C	0.0000
13	A	C	-1.3532
14	N	C	-1.2081
15	F	C	0.0000
16	L	C	-0.7041
17	V	C	0.0000
18	R	C	-2.7397
19	S	C	-2.3733
20	S	C	-1.9023
21	N	C	-1.6673
22	N	C	0.0000
23	L	C	0.4174
24	G	C	0.0000
25	P	C	0.0000
26	V	C	0.8942
27	L	C	0.0000
28	P	C	0.0000
29	P	C	-0.7478
30	T	C	0.0000
31	N	C	-1.7592
32	V	C	0.0000
33	G	C	-0.8817
34	S	C	0.0000
35	N	C	0.1447
36	T	C	0.0000
37	Y	C	2.0173
1	K	D	-3.0190
2	C	D	-1.7421
3	N	D	-1.7709
4	T	D	0.0000
5	A	D	-0.0893
6	T	D	0.0000
7	C	D	0.6276
8	A	D	0.0000
9	T	D	-0.2614
10	Q	D	0.0000
11	R	D	-1.2507
12	L	D	0.0000
13	A	D	-1.1538
14	N	D	-1.1583
15	F	D	0.0000
16	L	D	-0.4551
17	V	D	0.0000
18	R	D	-2.9039
19	S	D	-2.4501
20	S	D	-2.0114
21	N	D	-1.8746
22	N	D	0.0000
23	L	D	0.4431
24	G	D	0.0000
25	P	D	0.0000
26	V	D	0.9434
27	L	D	0.0000
28	P	D	0.0000
29	P	D	-0.7895
30	T	D	-1.1451
31	N	D	-1.8529
32	V	D	0.0000
33	G	D	-0.8298
34	S	D	0.0000
35	N	D	0.1909
36	T	D	0.0000
37	Y	D	2.0879
1	K	E	-3.1056
2	C	E	-1.9882
3	N	E	-2.3207
4	T	E	0.0000
5	A	E	-0.1642
6	T	E	0.0000
7	C	E	0.5974
8	A	E	0.0000
9	T	E	-0.3458
10	Q	E	0.0000
11	R	E	-1.6042
12	L	E	0.0000
13	A	E	-1.1805
14	N	E	-0.9758
15	F	E	0.0000
16	L	E	-0.4659
17	V	E	0.0000
18	R	E	-2.8389
19	S	E	-2.4883
20	S	E	-1.9839
21	N	E	-1.8062
22	N	E	0.0000
23	L	E	0.4749
24	G	E	0.0000
25	P	E	0.0000
26	V	E	0.9554
27	L	E	0.0000
28	P	E	0.0000
29	P	E	-0.7873
30	T	E	-1.1612
31	N	E	-1.7852
32	V	E	0.0000
33	G	E	-0.8654
34	S	E	0.0000
35	N	E	0.1924
36	T	E	0.0000
37	Y	E	2.0853
1	K	F	-3.0539
2	C	F	-1.8339
3	N	F	-1.8318
4	T	F	0.0000
5	A	F	-0.1036
6	T	F	0.0000
7	C	F	0.5983
8	A	F	0.0000
9	T	F	-0.4349
10	Q	F	0.0000
11	R	F	-1.7714
12	L	F	0.0000
13	A	F	-1.2143
14	N	F	-0.9487
15	F	F	0.0000
16	L	F	-0.2514
17	V	F	0.0000
18	R	F	-2.5638
19	S	F	-2.2922
20	S	F	-1.9169
21	N	F	-1.7436
22	N	F	0.0000
23	L	F	0.5235
24	G	F	0.0000
25	P	F	0.0000
26	V	F	1.1107
27	L	F	0.0000
28	P	F	0.0000
29	P	F	-0.7612
30	T	F	-1.1655
31	N	F	-1.8701
32	V	F	0.0000
33	G	F	-0.8370
34	S	F	0.0000
35	N	F	0.1825
36	T	F	0.0000
37	Y	F	2.0845
1	K	G	-2.9933
2	C	G	-1.7151
3	N	G	-1.7309
4	T	G	0.0000
5	A	G	-0.0509
6	T	G	0.0000
7	C	G	0.6286
8	A	G	0.0000
9	T	G	-0.5745
10	Q	G	-1.3742
11	R	G	-2.1352
12	L	G	0.0000
13	A	G	-1.4876
14	N	G	-1.1936
15	F	G	0.0000
16	L	G	-0.3294
17	V	G	0.0000
18	R	G	-2.3879
19	S	G	-2.1821
20	S	G	-1.8321
21	N	G	-1.7733
22	N	G	0.0000
23	L	G	0.5116
24	G	G	0.0000
25	P	G	0.0000
26	V	G	1.1044
27	L	G	0.0000
28	P	G	0.0000
29	P	G	-0.7302
30	T	G	0.0000
31	N	G	-1.7524
32	V	G	0.0000
33	G	G	-0.8566
34	S	G	0.0000
35	N	G	0.1851
36	T	G	0.0000
37	Y	G	2.0813
1	K	H	-3.0204
2	C	H	-1.7786
3	N	H	-1.8727
4	T	H	0.0000
5	A	H	-0.0922
6	T	H	0.0000
7	C	H	0.5841
8	A	H	0.0000
9	T	H	-0.5398
10	Q	H	0.0000
11	R	H	-2.4231
12	L	H	0.0000
13	A	H	-1.4825
14	N	H	-1.2458
15	F	H	0.0000
16	L	H	-0.3564
17	V	H	0.0000
18	R	H	-2.1239
19	S	H	-2.0698
20	S	H	-1.8411
21	N	H	-1.7094
22	N	H	0.0000
23	L	H	0.5148
24	G	H	0.0000
25	P	H	0.0000
26	V	H	1.0873
27	L	H	0.0000
28	P	H	0.0000
29	P	H	-0.6714
30	T	H	0.0000
31	N	H	-1.7634
32	V	H	0.0000
33	G	H	-0.8193
34	S	H	0.0000
35	N	H	0.1715
36	T	H	0.0000
37	Y	H	2.0808
1	K	I	-2.9711
2	C	I	-1.6766
3	N	I	-1.6483
4	T	I	0.0000
5	A	I	-0.0319
6	T	I	0.0000
7	C	I	0.5821
8	A	I	0.0000
9	T	I	-0.4095
10	Q	I	0.0000
11	R	I	-1.5471
12	L	I	0.0000
13	A	I	-1.4172
14	N	I	-1.3456
15	F	I	0.0000
16	L	I	-0.7277
17	V	I	0.0000
18	R	I	-2.7809
19	S	I	-2.3186
20	S	I	-1.9200
21	N	I	-1.7857
22	N	I	0.0000
23	L	I	0.5128
24	G	I	0.0000
25	P	I	0.0000
26	V	I	1.0813
27	L	I	0.0000
28	P	I	0.0000
29	P	I	-0.6375
30	T	I	0.0000
31	N	I	-1.5985
32	V	I	0.0000
33	G	I	-0.8407
34	S	I	0.0000
35	N	I	0.1159
36	T	I	0.0000
37	Y	I	2.0659
1	K	J	-2.9141
2	C	J	-1.5324
3	N	J	-1.3130
4	T	J	0.0000
5	A	J	0.0454
6	T	J	0.0000
7	C	J	0.5769
8	A	J	0.0000
9	T	J	-0.3098
10	Q	J	0.0000
11	R	J	-1.6486
12	L	J	0.0000
13	A	J	-1.2875
14	N	J	-1.3430
15	F	J	0.0000
16	L	J	-0.9727
17	V	J	0.0000
18	R	J	-3.1045
19	S	J	-2.5475
20	S	J	-1.9687
21	N	J	-1.7221
22	N	J	0.0000
23	L	J	0.5000
24	G	J	0.0000
25	P	J	0.0000
26	V	J	1.0380
27	L	J	0.0000
28	P	J	0.0000
29	P	J	-0.6583
30	T	J	-1.0284
31	N	J	-1.7224
32	V	J	0.0000
33	G	J	-0.8298
34	S	J	0.0000
35	N	J	0.0844
36	T	J	0.0000
37	Y	J	2.0524
1	K	K	-2.8300
2	C	K	-1.4423
3	N	K	-1.3651
4	T	K	0.0000
5	A	K	0.0319
6	T	K	0.0000
7	C	K	0.6496
8	A	K	0.0000
9	T	K	-0.5484
10	Q	K	0.0000
11	R	K	-1.7401
12	L	K	0.0000
13	A	K	-1.2501
14	N	K	-0.9640
15	F	K	0.0000
16	L	K	-0.3669
17	V	K	0.0000
18	R	K	-2.8244
19	S	K	-2.6027
20	S	K	-2.1673
21	N	K	-1.8090
22	N	K	0.0000
23	L	K	0.5720
24	G	K	0.0000
25	P	K	0.0000
26	V	K	1.3709
27	L	K	0.0000
28	P	K	0.0000
29	P	K	-0.5815
30	T	K	0.0000
31	N	K	-1.4018
32	V	K	0.0000
33	G	K	-0.8305
34	S	K	0.0000
35	N	K	-0.3569
36	T	K	0.0000
37	Y	K	1.9781
1	K	L	-2.1739
2	C	L	-0.8125
3	N	L	-1.1776
4	T	L	-0.5436
5	A	L	-0.0290
6	T	L	0.5008
7	C	L	0.8743
8	A	L	0.2520
9	T	L	-0.5909
10	Q	L	-1.2490
11	R	L	-2.0081
12	L	L	-0.7109
13	A	L	-0.7191
14	N	L	-0.7935
15	F	L	0.5967
16	L	L	0.9153
17	V	L	0.1344
18	R	L	-2.1417
19	S	L	-2.0658
20	S	L	-1.7965
21	N	L	-1.9001
22	N	L	-0.9827
23	L	L	1.0732
24	G	L	1.0255
25	P	L	1.2808
26	V	L	1.9662
27	L	L	1.6495
28	P	L	0.4888
29	P	L	-0.2173
30	T	L	-0.6178
31	N	L	-1.0496
32	V	L	0.3871
33	G	L	-0.4762
34	S	L	-0.8288
35	N	L	-1.0936
36	T	L	0.1316
37	Y	L	1.4473