Project name: 4_rank

Chain sequence(s)	B: PIPHNRFGLKAYLRKNFDEEYVNEIVEEMEKEIAEVTKDLPPDAKLSRDQYHQINIIEFHYQQRVEWELRN
Selected Chain(s)	B
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 B 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                                          (00:02:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:06)

• Minimal score value: -4.7903
• Maximal score value: 1.2235
• Average score: -1.8056
• Total score value: -128.1977

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	P	B	-0.4368
2	I	B	-0.6347
3	P	B	-0.4907
4	H	B	-1.0262
5	N	B	-0.5338
6	R	B	-0.3147
7	F	B	1.2235
8	G	B	0.3029
9	L	B	0.0000
10	K	B	-0.8688
11	A	B	-0.9570
12	Y	B	-1.1076
13	L	B	0.0000
14	R	B	-3.7954
15	K	B	-3.5206
16	N	B	-2.7146
17	F	B	-3.0034
18	D	B	-4.0892
19	E	B	-4.7903
20	E	B	-4.0287
21	Y	B	-3.2570
22	V	B	0.0000
23	N	B	-4.4418
24	E	B	-4.1309
25	I	B	0.0000
26	V	B	-3.3262
27	E	B	-4.6060
28	E	B	-4.5608
29	M	B	0.0000
30	E	B	-4.0156
31	K	B	-4.5234
32	E	B	-3.7578
33	I	B	0.0000
34	A	B	-2.8711
35	E	B	-3.5549
36	V	B	-1.9855
37	T	B	-1.8721
38	K	B	-3.3517
39	D	B	-2.6671
40	L	B	-1.4779
41	P	B	-1.5401
42	P	B	-1.6960
43	D	B	-2.2453
44	A	B	-1.8352
45	K	B	-2.0418
46	L	B	-1.2662
47	S	B	-1.7016
48	R	B	-2.8636
49	D	B	-2.8740
50	Q	B	-1.8376
51	Y	B	-0.7628
52	H	B	-1.7665
53	Q	B	-1.2896
54	I	B	0.0000
55	N	B	-0.5423
56	I	B	0.4261
57	I	B	0.0000
58	E	B	0.0000
59	F	B	-0.0313
60	H	B	-0.9240
61	Y	B	0.0000
62	Q	B	-1.4280
63	Q	B	-2.1578
64	R	B	-1.9777
65	V	B	0.0000
66	E	B	-2.3971
67	W	B	-1.5063
68	E	B	-2.1035
69	L	B	-1.8126
70	R	B	-2.5479
71	N	B	-2.2891