Project name: query_structure

Chain sequence(s)	A: KTCEHLADTYRGVCFTNASCDDHCKNKAHLISGTCHNWKCFCTQNC
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.                                          (00:00:30)

• Minimal score value: -3.4028
• Maximal score value: 2.25
• Average score: -0.7363
• Total score value: -33.8694

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	-1.6995
2	T	A	-1.1849
3	C	A	-0.6167
4	E	A	-1.1201
5	H	A	-0.6360
6	L	A	-0.1931
7	A	A	0.0000
8	D	A	-2.0684
9	T	A	-1.3843
10	Y	A	-1.0707
11	R	A	-1.5164
12	G	A	-0.3953
13	V	A	1.6607
14	C	A	0.0000
15	F	A	2.2500
16	T	A	0.4857
17	N	A	-1.3361
18	A	A	-1.1249
19	S	A	-0.8648
20	C	A	0.0000
21	D	A	-2.3820
22	D	A	-3.4028
23	H	A	0.0000
24	C	A	0.0000
25	K	A	-2.6439
26	N	A	-3.2934
27	K	A	-3.1216
28	A	A	-1.8826
29	H	A	-1.8962
30	L	A	-0.2953
31	I	A	1.3302
32	S	A	-0.0931
33	G	A	0.0000
34	T	A	-0.7272
35	C	A	-0.0603
36	H	A	-0.7864
37	N	A	-0.8353
38	W	A	0.8040
39	K	A	-0.5108
40	C	A	0.0000
41	F	A	-0.2806
42	C	A	0.0000
43	T	A	-0.3997
44	Q	A	-0.9586
45	N	A	-1.2455
46	C	A	-0.3735