Project name: hwtx4

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with C chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -3.5933
• Maximal score value: 1.7806
• Average score: -1.1218
• Total score value: -39.2634

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	E	C	-1.6804
2	C	C	-1.1858
3	L	C	-0.1584
4	E	C	-0.8103
5	I	C	1.6262
6	F	C	1.7806
7	K	C	0.0134
8	A	C	-0.6989
9	C	C	0.0000
10	N	C	-2.5512
11	P	C	-2.3841
12	S	C	-1.8182
13	N	C	-2.6052
14	D	C	-2.7774
15	Q	C	-2.2467
16	C	C	-1.5206
17	C	C	-1.4428
18	K	C	-2.5808
19	S	C	-1.7145
20	S	C	-1.4478
21	K	C	-1.9445
22	L	C	0.0000
23	V	C	0.1728
24	C	C	0.0000
25	S	C	-2.1005
26	R	C	-3.5933
27	K	C	-3.1553
28	T	C	-2.2176
29	R	C	-3.1448
30	W	C	-1.4001
31	C	C	0.0000
32	K	C	-0.0970
33	Y	C	0.7540
34	Q	C	0.0239
35	I	C	1.6419