Project name: 19_rank

Chain sequence(s)	B: DIKAEAEKRMEEVVAEAREMYRAAEQLDPREARSARHRAWNMVMNQTFIYTQLTGEEQRIPAI
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: -5.196
• Maximal score value: 1.3238
• Average score: -2.0051
• Total score value: -126.3184

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	D	B	-1.9772
2	I	B	-0.2592
3	K	B	-2.5756
4	A	B	-2.7535
5	E	B	-3.7877
6	A	B	0.0000
7	E	B	-4.4090
8	K	B	-5.1960
9	R	B	-4.6601
10	M	B	0.0000
11	E	B	-4.5282
12	E	B	-4.4600
13	V	B	-2.9649
14	V	B	-2.0031
15	A	B	-2.8169
16	E	B	-3.4638
17	A	B	0.0000
18	R	B	-3.3804
19	E	B	-3.3470
20	M	B	-2.6610
21	Y	B	-3.1118
22	R	B	-3.5202
23	A	B	-2.2804
24	A	B	0.0000
25	E	B	-3.2801
26	Q	B	-2.3649
27	L	B	-1.9525
28	D	B	-2.3588
29	P	B	-2.6811
30	R	B	-3.4353
31	E	B	-3.7971
32	A	B	-3.5189
33	R	B	-4.0214
34	S	B	-3.0076
35	A	B	-2.9210
36	R	B	-3.3259
37	H	B	-2.9416
38	R	B	-2.8226
39	A	B	0.0000
40	W	B	-1.1110
41	N	B	-1.7490
42	M	B	-1.2820
43	V	B	0.0000
44	M	B	-0.1856
45	N	B	-0.2764
46	Q	B	0.0000
47	T	B	0.0000
48	F	B	1.3238
49	I	B	1.0570
50	Y	B	-1.0351
51	T	B	-1.4030
52	Q	B	-0.9496
53	L	B	0.0328
54	T	B	0.0000
55	G	B	-2.1093
56	E	B	-3.5423
57	E	B	-3.3275
58	Q	B	-2.3516
59	R	B	-2.1349
60	I	B	-0.4745
61	P	B	-0.2048
62	A	B	0.1781
63	I	B	-0.1887