Project name: 15_rank

Chain sequence(s)	B: PIPHNRFGLRAWLRKHFDEEYVNEIEEEMDKEIAEVTKDLAPDAKLTRDQYHQINIIEFHYRQRVEWHLRN
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                                          (00:01:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -4.4628
• Maximal score value: 1.2885
• Average score: -1.556
• Total score value: -110.4765

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	-0.3006
2	I	B	-0.3766
3	P	B	-0.4839
4	H	B	-0.8867
5	N	B	-0.3571
6	R	B	-0.0221
7	F	B	1.2885
8	G	B	0.3208
9	L	B	0.0000
10	R	B	-0.6482
11	A	B	-0.6843
12	W	B	-0.8304
13	L	B	0.0000
14	R	B	-3.1352
15	K	B	-3.1225
16	H	B	-2.3022
17	F	B	-2.4358
18	D	B	-3.8066
19	E	B	-4.4628
20	E	B	-3.8221
21	Y	B	-2.7095
22	V	B	0.0000
23	N	B	-3.8453
24	E	B	-3.7812
25	I	B	-2.6419
26	E	B	-2.7676
27	E	B	-4.2430
28	E	B	-4.0284
29	M	B	0.0000
30	D	B	-3.2798
31	K	B	-4.1742
32	E	B	-3.5158
33	I	B	0.0000
34	A	B	-2.8505
35	E	B	-3.3983
36	V	B	-2.1626
37	T	B	-1.9998
38	K	B	-3.2779
39	D	B	-2.6587
40	L	B	-1.6776
41	A	B	-1.3146
42	P	B	-1.4157
43	D	B	-2.1645
44	A	B	-1.7470
45	K	B	-1.9497
46	L	B	-1.0682
47	T	B	-1.5256
48	R	B	-2.8145
49	D	B	-2.8895
50	Q	B	-1.7724
51	Y	B	-0.8075
52	H	B	-1.9423
53	Q	B	-1.3664
54	I	B	0.0000
55	N	B	-0.8010
56	I	B	0.4514
57	I	B	0.0000
58	E	B	0.0000
59	F	B	0.8986
60	H	B	-0.1082
61	Y	B	0.0000
62	R	B	-0.5939
63	Q	B	-0.7379
64	R	B	-1.0113
65	V	B	0.0000
66	E	B	-0.8230
67	W	B	-0.4821
68	H	B	-0.9853
69	L	B	-0.6877
70	R	B	-1.8916
71	N	B	-1.8467