Project name: 8386709ef219a88 [mutate: AA1A]

Chain sequence(s)	A: AHTSVTCPEGWSECGVAIYGYACGRWGCGHFLNSGPNISPYV
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	AA1A
Energy difference between WT (input) and mutated protein (by FoldX)	0.0 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:00:10)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:11)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -2.276
• Maximal score value: 2.3435
• Average score: 0.0062
• Total score value: 0.2586

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	A	A	-0.4657	mutated: AA1A
2	H	A	-0.9230
3	T	A	-0.4845
4	S	A	-0.5357
5	V	A	-0.1008
6	T	A	-0.3996
7	C	A	-1.0013
8	P	A	-1.4516
9	E	A	-2.2760
10	G	A	-1.7495
11	W	A	-1.5710
12	S	A	-1.5327
13	E	A	-1.9211
14	C	A	-0.3237
15	G	A	0.4799
16	V	A	1.2768
17	A	A	1.5103
18	I	A	2.3435
19	Y	A	1.5702
20	G	A	1.2814
21	Y	A	0.0000
22	A	A	0.0000
23	C	A	0.0000
24	G	A	0.0000
25	R	A	-1.9628
26	W	A	-0.0243
27	G	A	-0.6857
28	C	A	0.0369
29	G	A	0.3193
30	H	A	0.4891
31	F	A	2.2130
32	L	A	1.8181
33	N	A	0.4914
34	S	A	0.2457
35	G	A	-0.2712
36	P	A	-0.7527
37	N	A	-0.7637
38	I	A	-0.0102
39	S	A	0.8048
40	P	A	0.8200
41	Y	A	1.6451
42	V	A	2.1199