Project name: Wpig7

Chain sequence(s)	A: LHYTDCTETGQNLCLCEGDNACVRGNRCILGSTKKDNKCIPGYGKAMHQNKPDEESEQFSYDDDDDK
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]                                                (00:00:06)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:06)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:06)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:06)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:06)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:44)

• Minimal score value: -4.5826
• Maximal score value: 1.1287
• Average score: -1.6856
• Total score value: -112.9337

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	L	A	1.1287
2	H	A	0.1179
3	Y	A	-0.0860
4	T	A	-0.9519
5	D	A	-2.4943
6	C	A	0.0000
7	T	A	-1.4402
8	E	A	-2.1316
9	T	A	-1.1616
10	G	A	-0.8008
11	Q	A	0.0000
12	N	A	0.0000
13	L	A	-0.3678
14	C	A	0.0000
15	L	A	-1.7365
16	C	A	0.0000
17	E	A	-3.6190
18	G	A	-3.2353
19	D	A	-3.1405
20	N	A	-2.4088
21	A	A	-1.1457
22	C	A	0.0000
23	V	A	0.7236
24	R	A	-1.2415
25	G	A	-0.5969
26	N	A	-0.6271
27	R	A	-1.0273
28	C	A	0.0000
29	I	A	-0.6272
30	L	A	-1.2110
31	G	A	-2.1683
32	S	A	-1.5016
33	T	A	-1.7966
34	K	A	-3.1052
35	K	A	-3.7722
36	D	A	-3.8612
37	N	A	-2.7914
38	K	A	-2.6611
39	C	A	-1.1468
40	I	A	-0.2300
41	P	A	-0.2159
42	G	A	-0.0887
43	Y	A	0.2955
44	G	A	-0.7623
45	K	A	-2.2081
46	A	A	-1.3211
47	M	A	-1.3462
48	H	A	-2.0101
49	Q	A	-2.3271
50	N	A	-3.0432
51	K	A	-3.3805
52	P	A	-2.9341
53	D	A	-3.8607
54	E	A	-4.0620
55	E	A	-3.9733
56	S	A	-2.8470
57	E	A	-2.7039
58	Q	A	-1.4688
59	F	A	0.0293
60	S	A	-0.5985
61	Y	A	-0.7932
62	D	A	-2.7331
63	D	A	-3.4231
64	D	A	-4.0892
65	D	A	-4.5826
66	D	A	-4.0819
67	K	A	-3.2887