Project name: cac8acca16c6a43 [mutate: QC24A]

Chain sequence(s)	A: HSQGTFTSDYSKYLDSRRAQDFVQWLMNT
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	QC24A
Energy difference between WT (input) and mutated protein (by FoldX)	0.877411 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:00:21)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:38)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -3.866
• Maximal score value: 2.4745
• Average score: -0.7065
• Total score value: -20.4872

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	H	A	-1.3473
2	S	A	-1.3319
3	Q	A	-1.3803
4	G	A	-0.4572
5	T	A	-0.0328
6	F	A	1.0575
7	T	A	0.1270
8	S	A	-0.7206
9	D	A	-1.3898
10	Y	A	-0.0648
11	S	A	-1.2119
12	K	A	-2.5737
13	Y	A	-1.5063
14	L	A	-1.9845
15	D	A	-3.7164
16	S	A	-2.8187
17	R	A	-3.8660
18	R	A	-3.7010
19	A	A	-1.8857
20	Q	A	-2.1801
21	D	A	-1.6249
22	F	A	1.3468
23	V	A	1.8989
24	C	A	1.3736	mutated: QC24A
25	W	A	2.1987
26	L	A	2.4745
27	M	A	1.8589
28	N	A	0.4535
29	T	A	0.5173