Project name: kfdv_M

Chain sequence(s)	A: SVSIPVHAHSDLTGRGHKWLKGDSVKTHLTRVEGWVWKNKFLTAAFCAVVWMVTDSLPTRFIVITVALCLAPTYA
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -2.5779
• Maximal score value: 3.8238
• Average score: 0.2949
• Total score value: 22.1153

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	S	A	0.8304
2	V	A	2.0709
3	S	A	1.7364
4	I	A	2.6038
5	P	A	1.3660
6	V	A	1.5064
7	H	A	-0.2320
8	A	A	-0.6614
9	H	A	-1.2930
10	S	A	-1.2145
11	D	A	-1.5348
12	L	A	0.0136
13	T	A	-0.6771
14	G	A	-1.7074
15	R	A	-2.4806
16	G	A	-1.9909
17	H	A	-2.1794
18	K	A	-2.4560
19	W	A	-0.5990
20	L	A	0.1828
21	K	A	-2.0319
22	G	A	-1.7501
23	D	A	-2.5779
24	S	A	-1.7073
25	V	A	-1.5907
26	K	A	-2.4816
27	T	A	-1.9847
28	H	A	-1.9351
29	L	A	-1.3951
30	T	A	-1.9149
31	R	A	-2.4397
32	V	A	-1.4917
33	E	A	-2.2635
34	G	A	-1.6588
35	W	A	-1.2018
36	V	A	-0.6954
37	W	A	-0.4736
38	K	A	-1.4642
39	N	A	-0.6540
40	K	A	-0.6500
41	F	A	1.5831
42	L	A	1.4221
43	T	A	1.0778
44	A	A	1.1333
45	A	A	1.5661
46	F	A	2.2341
47	C	A	2.3161
48	A	A	1.9476
49	V	A	2.7622
50	V	A	0.0000
51	W	A	2.0624
52	M	A	2.4408
53	V	A	2.4205
54	T	A	0.8919
55	D	A	-0.8172
56	S	A	0.1255
57	L	A	1.5691
58	P	A	1.3735
59	T	A	1.4860
60	R	A	2.5102
61	F	A	3.5719
62	I	A	3.8238
63	V	A	3.0406
64	I	A	2.7103
65	T	A	2.5054
66	V	A	2.9221
67	A	A	2.3225
68	L	A	1.6372
69	C	A	1.7919
70	L	A	1.8891
71	A	A	1.4507
72	P	A	0.0000
73	T	A	1.0301
74	Y	A	1.6015
75	A	A	0.7909