Project name: query_structure

Chain sequence(s)	A: MPCSCKKYCDPWEVIDGSCGLFNSKYICCREK
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                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -2.6407
• Maximal score value: 1.682
• Average score: -0.3562
• Total score value: -11.3993

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	M	A	1.0100
2	P	A	0.1418
3	C	A	-0.0226
4	S	A	0.1595
5	C	A	-0.5154
6	K	A	-1.8605
7	K	A	-2.0023
8	Y	A	0.3445
9	C	A	0.5042
10	D	A	-0.2088
11	P	A	0.1019
12	W	A	0.1469
13	E	A	-0.2640
14	V	A	0.9503
15	I	A	1.1239
16	D	A	-0.6911
17	G	A	-0.3060
18	S	A	-0.6048
19	C	A	-0.7543
20	G	A	-0.3071
21	L	A	1.5987
22	F	A	1.6820
23	N	A	-0.4849
24	S	A	-0.9322
25	K	A	-1.7975
26	Y	A	-0.6617
27	I	A	0.0347
28	C	A	0.0000
29	C	A	-0.5776
30	R	A	-1.9341
31	E	A	-2.6321
32	K	A	-2.6407