Project name: renyuan

Chain sequence(s)	A: CGNLSTCMLGTYTQDFNKFHTFPQTAIGVGAP
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -1.2562
• Maximal score value: 1.9871
• Average score: 0.5496
• Total score value: 17.5864

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	C	A	0.6851
2	G	A	-0.4016
3	N	A	-0.3139
4	L	A	1.3237
5	S	A	0.8553
6	T	A	0.8861
7	C	A	1.3422
8	M	A	1.8484
9	L	A	1.9871
10	G	A	0.9877
11	T	A	0.5803
12	Y	A	1.0673
13	T	A	0.2586
14	Q	A	-1.2562
15	D	A	-0.5215
16	F	A	0.6182
17	N	A	-1.0719
18	K	A	-0.9444
19	F	A	1.1052
20	H	A	-0.4014
21	T	A	-0.2252
22	F	A	1.5690
23	P	A	0.5394
24	Q	A	0.0234
25	T	A	0.6509
26	A	A	1.1157
27	I	A	1.9227
28	G	A	0.9305
29	V	A	1.5493
30	G	A	0.5802
31	A	A	0.4314
32	P	A	-0.1352