Project name: c0cd6388baa192d

Chain sequence(s)	A: KTQTSCPDGYTYDCGAAQQTCCSQYDFCGYNLPHLYLPSDFYCTANYINTYE
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]                                                (00:00:00)
[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 A 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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)

• Minimal score value: -2.0546
• Maximal score value: 2.0295
• Average score: -0.2987
• Total score value: -15.5316

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	-2.0546
2	T	A	-1.7480
3	Q	A	-1.4062
4	T	A	-0.6607
5	S	A	-0.5773
6	C	A	-0.6785
7	P	A	-0.9338
8	D	A	-1.8207
9	G	A	-0.8551
10	Y	A	-0.3243
11	T	A	-0.5109
12	Y	A	-0.1427
13	D	A	-1.5196
14	C	A	-1.0552
15	G	A	-1.0066
16	A	A	-0.8242
17	A	A	-0.5402
18	Q	A	-1.3155
19	Q	A	-1.9527
20	T	A	0.0000
21	C	A	0.0000
22	C	A	0.0000
23	S	A	-0.0496
24	Q	A	-0.5706
25	Y	A	0.2947
26	D	A	-0.9185
27	F	A	0.5240
28	C	A	0.1220
29	G	A	0.1870
30	Y	A	1.2447
31	N	A	0.7909
32	L	A	1.5256
33	P	A	0.5620
34	H	A	0.1683
35	L	A	1.8446
36	Y	A	2.0295
37	L	A	0.9387
38	P	A	-0.0627
39	S	A	-0.5186
40	D	A	-0.3985
41	F	A	1.4701
42	Y	A	1.1080
43	C	A	0.0000
44	T	A	0.0000
45	A	A	-1.2181
46	N	A	-0.9966
47	Y	A	-0.2873
48	I	A	0.2977
49	N	A	-0.8611
50	T	A	-0.3490
51	Y	A	-0.4761
52	E	A	-2.0059