Project name: 3_rank

Chain sequence(s)	B: GLSPLEQVRKLLEEHNVPQRQIEHVVGMFRRYKAYVDHKMPQEIIDEQKKFFEMEFHIYVPNGYEKANELIKKVEE
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                                          (00:03:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:03)

• Minimal score value: -4.038
• Maximal score value: 1.7286
• Average score: -1.5977
• Total score value: -121.4219

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	B	-0.2985
2	L	B	-0.1196
3	S	B	-0.5244
4	P	B	-1.6213
5	L	B	-1.4079
6	E	B	-1.6468
7	Q	B	-1.5703
8	V	B	0.0000
9	R	B	-2.5588
10	K	B	-2.6322
11	L	B	-2.0272
12	L	B	0.0000
13	E	B	-3.9845
14	E	B	-3.5479
15	H	B	-2.6123
16	N	B	-2.7977
17	V	B	0.0000
18	P	B	-2.2757
19	Q	B	-3.3824
20	R	B	-3.3773
21	Q	B	-2.6774
22	I	B	0.0000
23	E	B	-3.3156
24	H	B	-2.6824
25	V	B	0.0000
26	V	B	0.0000
27	G	B	-1.9698
28	M	B	-1.3377
29	F	B	0.0000
30	R	B	-2.5426
31	R	B	-1.8976
32	Y	B	0.0000
33	K	B	-2.4594
34	A	B	-1.7992
35	Y	B	-1.5935
36	V	B	-2.3739
37	D	B	-2.9401
38	H	B	-2.5406
39	K	B	-2.6963
40	M	B	-1.3567
41	P	B	-1.4851
42	Q	B	-2.5917
43	E	B	-2.8891
44	I	B	-1.4400
45	I	B	0.0000
46	D	B	-3.0483
47	E	B	-3.1166
48	Q	B	-1.9840
49	K	B	-2.2502
50	K	B	-1.9571
51	F	B	-0.4746
52	F	B	0.0000
53	E	B	0.0000
54	M	B	0.7066
55	E	B	0.5810
56	F	B	0.0000
57	H	B	0.0829
58	I	B	1.7286
59	Y	B	0.5902
60	V	B	0.0000
61	P	B	-0.8074
62	N	B	-1.6362
63	G	B	0.0000
64	Y	B	-1.1623
65	E	B	-2.8204
66	K	B	-2.2174
67	A	B	0.0000
68	N	B	-3.0213
69	E	B	-3.4753
70	L	B	0.0000
71	I	B	0.0000
72	K	B	-4.0380
73	K	B	-3.6767
74	V	B	-3.1603
75	E	B	-3.8054
76	E	B	-3.4862