Project name: f0f2d350c9c4d36dba570a3bdaafeb4c

Chain sequence(s)	B: SKEELLREVASLVEAALAAAEAAVAKATDPRVKEKAEFVLELARETLRKFREEYPGIEPLPAAAAFAAAAAAEPDVGAIARAAREVAERAAELYEEAEKLGSGC
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:39)

• Minimal score value: -4.0846
• Maximal score value: 0.5382
• Average score: -1.3906
• Total score value: -144.6191

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	S	B	-1.1087
2	K	B	-2.1070
3	E	B	-2.7171
4	E	B	-2.8420
5	L	B	-2.1602
6	L	B	0.0000
7	R	B	-2.3571
8	E	B	-2.0826
9	V	B	0.0000
10	A	B	0.0000
11	S	B	0.0000
12	L	B	-0.8198
13	V	B	0.0000
14	E	B	-0.9389
15	A	B	0.0000
16	A	B	0.0000
17	L	B	-1.3283
18	A	B	-0.5836
19	A	B	0.0000
20	A	B	0.0000
21	E	B	-1.9458
22	A	B	-0.9197
23	A	B	0.0000
24	V	B	-1.1890
25	A	B	-0.7883
26	K	B	-1.1269
27	A	B	0.0000
28	T	B	-0.8065
29	D	B	-1.6560
30	P	B	-2.1043
31	R	B	-3.0909
32	V	B	-2.1619
33	K	B	-2.5501
34	E	B	-2.9507
35	K	B	-2.1885
36	A	B	0.0000
37	E	B	-2.0604
38	F	B	-0.4170
39	V	B	0.0000
40	L	B	-1.8865
41	E	B	-2.2121
42	L	B	-1.5970
43	A	B	0.0000
44	R	B	-3.2540
45	E	B	-3.1257
46	T	B	0.0000
47	L	B	-2.7162
48	R	B	-3.6899
49	K	B	-3.6332
50	F	B	0.0000
51	R	B	-3.4549
52	E	B	-3.9619
53	E	B	-3.5366
54	Y	B	0.0000
55	P	B	-2.2598
56	G	B	-1.5561
57	I	B	0.0000
58	E	B	-2.4551
59	P	B	-1.5663
60	L	B	-0.7446
61	P	B	-0.3094
62	A	B	0.0391
63	A	B	0.0018
64	A	B	0.1622
65	A	B	0.3615
66	F	B	0.5382
67	A	B	0.0192
68	A	B	0.2465
69	A	B	0.1383
70	A	B	0.0000
71	A	B	-0.2842
72	A	B	-0.4397
73	E	B	-1.2256
74	P	B	-1.4406
75	D	B	-2.0778
76	V	B	-1.2983
77	G	B	-1.5351
78	A	B	-1.4321
79	I	B	0.0000
80	A	B	0.0000
81	R	B	-2.7147
82	A	B	-1.9072
83	A	B	0.0000
84	R	B	-3.0072
85	E	B	-3.6825
86	V	B	-2.5884
87	A	B	0.0000
88	E	B	-3.4512
89	R	B	-3.8974
90	A	B	0.0000
91	A	B	-2.6059
92	E	B	-3.7091
93	L	B	-3.0743
94	Y	B	0.0000
95	E	B	-4.0846
96	E	B	-3.6717
97	A	B	0.0000
98	E	B	-3.2466
99	K	B	-3.0246
100	L	B	-1.2541
101	G	B	-1.2101
102	S	B	-0.8701
103	G	B	-0.8057
104	C	B	-0.6265