Project name: 1b9632a8b70cb02

Chain sequence(s)	A: MEELKRRFEERAERQLATYLRRLEVLKEAGASPDAEARFRARAEGLTATLLRLLEVLQRASSPEELLDSLMRRFARGLRRALQELL
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]                                                (00:00:00)
[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 A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:25)

• Minimal score value: -4.9602
• Maximal score value: 0.5442
• Average score: -1.9094
• Total score value: -164.2114

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	M	A	-2.4621
2	E	A	-3.6828
3	E	A	-4.0001
4	L	A	0.0000
5	K	A	-4.0991
6	R	A	-4.9538
7	R	A	-4.8743
8	F	A	0.0000
9	E	A	-4.5336
10	E	A	-4.9602
11	R	A	-4.4485
12	A	A	0.0000
13	E	A	-4.1850
14	R	A	-3.8051
15	Q	A	-2.2754
16	L	A	-2.2720
17	A	A	-2.0213
18	T	A	-1.7799
19	Y	A	0.0000
20	L	A	-2.0840
21	R	A	-2.8016
22	R	A	-2.9211
23	L	A	0.0000
24	E	A	-2.9584
25	V	A	-0.9191
26	L	A	-1.2879
27	K	A	-2.3857
28	E	A	-2.2872
29	A	A	-0.9048
30	G	A	-0.5948
31	A	A	-1.3401
32	S	A	-1.2685
33	P	A	-1.8233
34	D	A	-2.7075
35	A	A	0.0000
36	E	A	-3.0103
37	A	A	-2.4000
38	R	A	-3.4629
39	F	A	0.0000
40	R	A	-2.6615
41	A	A	-2.4946
42	R	A	-2.6825
43	A	A	0.0000
44	E	A	-2.7009
45	G	A	-1.5833
46	L	A	-1.1039
47	T	A	-1.3209
48	A	A	-1.0564
49	T	A	-0.7066
50	L	A	0.0000
51	L	A	-1.0612
52	R	A	-1.7477
53	L	A	-0.3172
54	L	A	0.0000
55	E	A	-1.8432
56	V	A	0.4079
57	L	A	-0.0489
58	Q	A	-1.3477
59	R	A	-1.7445
60	A	A	-0.7622
61	S	A	-1.3584
62	S	A	-1.6890
63	P	A	-2.5023
64	E	A	-3.4341
65	E	A	-3.3264
66	L	A	0.0000
67	L	A	0.0000
68	D	A	-3.3724
69	S	A	-2.4244
70	L	A	0.0000
71	M	A	-2.5240
72	R	A	-3.2273
73	R	A	-2.7336
74	F	A	0.0000
75	A	A	-2.5581
76	R	A	-3.7907
77	G	A	-2.8214
78	L	A	0.0000
79	R	A	-4.0970
80	R	A	-4.0758
81	A	A	0.0000
82	L	A	0.0000
83	Q	A	-2.6622
84	E	A	-2.5812
85	L	A	-1.2916
86	L	A	0.5442