Project name: 603027fb950df40

Chain sequence(s)	A: KHSISDYTEAEFLEFVKKIARAEGATECDDNKLVREFERLTEHPDGSDLIYYPRDDREDSPEEGIVKKEIKEWRAANGKSGFKQ
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:35)

• Minimal score value: -4.3036
• Maximal score value: 0.6354
• Average score: -1.7984
• Total score value: -147.471

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
4	K	A	-2.4233
5	H	A	-2.2140
6	S	A	-1.7123
7	I	A	0.0000
8	S	A	-1.6699
9	D	A	-2.1788
10	Y	A	-1.6925
11	T	A	-1.7374
12	E	A	-2.0859
13	A	A	-1.2122
14	E	A	-1.7932
15	F	A	0.0000
16	L	A	-1.8414
17	E	A	-2.5940
18	F	A	-1.6493
19	V	A	0.0000
20	K	A	-2.6041
21	K	A	-2.4416
22	I	A	0.0000
23	A	A	-1.6176
24	R	A	-2.6869
25	A	A	-2.3337
26	E	A	-2.6193
27	G	A	-1.9699
28	A	A	-0.7289
29	T	A	-1.4266
30	E	A	-2.3698
31	C	A	-1.2463
32	D	A	-1.9823
33	D	A	-2.7327
34	N	A	-2.9128
35	K	A	-3.2309
36	L	A	-2.3622
37	V	A	-2.1151
38	R	A	-3.3313
39	E	A	-2.7347
40	F	A	0.0000
41	E	A	-2.7791
42	R	A	-2.5809
43	L	A	0.0000
44	T	A	0.0000
45	E	A	-2.7654
46	H	A	0.0000
47	P	A	-1.7911
48	D	A	-2.4418
49	G	A	-2.0999
50	S	A	-1.0499
51	D	A	-1.1771
52	L	A	0.0000
53	I	A	0.0000
54	Y	A	0.6354
55	Y	A	0.1369
56	P	A	-2.1116
57	R	A	-3.6334
58	D	A	-4.1137
59	D	A	-3.9165
60	R	A	-3.7692
61	E	A	-4.3036
62	D	A	-3.5655
63	S	A	-2.2558
64	P	A	-2.4538
65	E	A	-3.1290
66	G	A	0.0000
67	I	A	0.0000
68	V	A	0.0000
69	K	A	-3.1025
70	E	A	-2.4354
71	I	A	0.0000
72	K	A	-2.8134
73	E	A	-2.9460
74	W	A	-1.9141
75	R	A	0.0000
76	A	A	-1.6266
77	A	A	-1.2430
78	N	A	-1.5397
79	G	A	-1.4099
80	K	A	-2.2329
81	S	A	-1.3625
82	G	A	-1.7329
83	F	A	-1.5502
84	K	A	-2.1827
85	Q	A	-1.9633