Project name: 30755d930d24aa8

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[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                                          (00:02:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:54)

• Minimal score value: -3.3135
• Maximal score value: 0.5109
• Average score: -1.438
• Total score value: -166.8105

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	V	A	0.5109
2	D	A	-1.9089
3	N	A	-3.0968
4	K	A	-3.2253
5	F	A	-2.2943
6	N	A	-3.2672
7	K	A	-3.2606
8	E	A	-2.4053
9	Q	A	0.0000
10	Q	A	-1.7421
11	N	A	-1.3568
12	A	A	0.0000
13	F	A	0.0000
14	Y	A	-0.5804
15	E	A	-0.8998
16	I	A	0.0000
17	L	A	0.0000
18	H	A	-0.9834
19	L	A	0.0000
20	P	A	-1.0396
21	N	A	-1.6500
22	L	A	0.0000
23	N	A	-2.2226
24	E	A	-2.9317
25	E	A	-3.1408
26	Q	A	-2.1330
27	R	A	0.0000
28	N	A	0.0000
29	A	A	-1.5241
30	F	A	0.0000
31	I	A	0.0000
32	Q	A	-2.0208
33	S	A	-1.4971
34	L	A	0.0000
35	K	A	-2.1642
36	D	A	-2.9476
37	D	A	-2.1077
38	P	A	-1.8887
39	S	A	-1.5534
40	Q	A	-1.8676
41	S	A	0.0000
42	A	A	-1.3308
43	N	A	-1.8955
44	L	A	0.0000
45	L	A	0.0000
46	A	A	-1.5920
47	E	A	-2.0074
48	A	A	0.0000
49	K	A	-2.8008
50	K	A	-3.1808
51	L	A	-2.2805
52	N	A	-2.5765
53	D	A	-3.3135
54	A	A	-2.3058
55	Q	A	-2.5336
56	A	A	-2.0980
57	P	A	-1.7099
58	K	A	-2.2043
1	V	B	0.4482
2	D	B	-1.6895
3	N	B	-2.0394
4	K	B	-3.1803
5	F	B	-2.1351
6	N	B	0.0000
7	K	B	-2.2877
8	E	B	-1.1937
9	L	B	0.0000
10	S	B	0.0000
11	V	B	0.4996
12	A	B	0.0000
13	G	B	0.0000
14	R	B	-0.7496
15	E	B	-0.8168
16	I	B	0.0000
17	V	B	0.0000
18	T	B	-1.0365
19	L	B	-0.8534
20	P	B	-1.1540
21	N	B	-1.7101
22	L	B	-1.7759
23	N	B	-2.4543
24	D	B	-2.9470
25	P	B	-2.1420
26	Q	B	-1.8538
27	K	B	-1.8709
28	K	B	-2.2530
29	A	B	-0.9303
30	F	B	-0.9612
31	I	B	0.0000
32	F	B	-1.1874
33	S	B	-1.3397
34	L	B	0.0000
35	W	B	-1.6252
36	D	B	-3.0752
37	D	B	-3.0060
38	P	B	0.0000
39	S	B	-1.8898
40	Q	B	-2.1838
41	S	B	0.0000
42	A	B	-0.8941
43	N	B	-1.9587
44	L	B	0.0000
45	L	B	-1.1736
46	A	B	-1.9951
47	E	B	-2.9135
48	A	B	0.0000
49	K	B	-2.7698
50	K	B	-3.2838
51	L	B	-1.9434
52	N	B	0.0000
53	D	B	-3.1695
54	A	B	-1.7403
55	Q	B	-2.0908
56	A	B	-1.6039
57	P	B	-2.0465
58	K	B	-2.8054