Project name: FHVB2

Chain sequence(s)	A: GAMPSKLALIQELPDRIQTAVEAAMGMSYQDAPNNVRRDLDNLHACLNKAKLTVGRMVTSLLEKPSVVAYLEGK
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                                          (00:01:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -4.5933
• Maximal score value: 0.8257
• Average score: -1.3953
• Total score value: -103.2551

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	G	A	-0.2146
0	A	A	0.2651
1	M	A	0.8257
2	P	A	-0.2451
3	S	A	-0.7582
4	K	A	-1.4741
5	L	A	-0.8399
6	A	A	-0.8084
7	L	A	-0.8778
8	I	A	0.0000
9	Q	A	-1.8673
10	E	A	-2.6887
11	L	A	-1.4903
12	P	A	-1.7703
13	D	A	-3.4403
14	R	A	-3.1708
15	I	A	-1.5598
16	Q	A	-2.1304
17	T	A	-1.8911
18	A	A	-1.1329
19	V	A	0.0000
20	E	A	-2.3994
21	A	A	-0.9076
22	A	A	-0.4773
23	M	A	-0.9133
24	G	A	-0.7363
25	M	A	-0.4679
26	S	A	-0.9158
27	Y	A	-1.9108
28	Q	A	-2.6796
29	D	A	-2.5105
30	A	A	-2.1977
31	P	A	-2.2144
32	N	A	-3.3204
33	N	A	-2.9897
34	V	A	-2.2367
35	R	A	-3.5323
36	R	A	-4.5933
37	D	A	-3.7758
38	L	A	-2.5778
39	D	A	-3.7524
40	N	A	-3.0621
41	L	A	-1.7146
42	H	A	-1.8774
43	A	A	-1.7749
44	C	A	-0.9100
45	L	A	-0.9385
46	N	A	-1.7102
47	K	A	-1.5801
48	A	A	-0.5983
49	K	A	-0.9190
50	L	A	0.2794
51	T	A	-0.2386
52	V	A	0.1088
53	G	A	-0.5118
54	R	A	-1.2326
55	M	A	0.1074
56	V	A	0.0000
57	T	A	-0.9593
58	S	A	-0.9255
59	L	A	-0.4431
60	L	A	-0.8467
61	E	A	-2.4549
62	K	A	-2.2807
63	P	A	-1.1277
64	S	A	-0.4352
65	V	A	0.1340
66	V	A	-0.5244
67	A	A	-0.7896
68	Y	A	0.1398
69	L	A	0.0000
70	E	A	-2.0619
71	G	A	-1.6889
72	K	A	-2.0403