Project name: Design58_0_10 [mutate: IL17B, LV14B] [mutate: LQ17B, VQ14B]

Chain sequence(s)	B: SIELKYKFKGTTGVIGLINHPELSSFVIDGFGNKVKVFVNAKSGIGKIELEVRTPSLEEPVRAESEITIKNGEKTVKVEAEAEVGDLESDEVEVTITLYPG
Selected Chain(s)	B
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	LQ17B,VQ14B
Energy difference between WT (input) and mutated protein (by FoldX)	-0.034503 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:00:54)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:04)

• Minimal score value: -2.2109
• Maximal score value: 1.3334
• Average score: -0.5505
• Total score value: -55.5995

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	-0.0130
2	I	B	0.4602
3	E	B	-1.6394
4	L	B	-0.4953
5	K	B	-1.6336
6	Y	B	-0.4066
7	K	B	-1.6224
8	F	B	-0.2491
9	K	B	-1.7982
10	G	B	0.0000
11	T	B	-0.0522
12	T	B	-0.0999
13	G	B	-0.3530
14	Q	B	-1.1746	mutated: VQ14B
15	I	B	0.0262
16	G	B	-0.2516
17	Q	B	-1.1201	mutated: LQ17B
18	I	B	-0.1285
19	N	B	-1.2324
20	H	B	-0.3987
21	P	B	-0.4010
22	E	B	-0.7137
23	L	B	0.0000
24	S	B	-0.2331
25	S	B	-0.1964
26	F	B	0.0000
27	V	B	0.1420
28	I	B	0.0000
29	D	B	0.0000
30	G	B	0.0000
31	F	B	1.3250
32	G	B	-0.3997
33	N	B	-1.3385
34	K	B	-1.1358
35	V	B	0.0000
36	K	B	-0.6901
37	V	B	0.0000
38	F	B	0.2869
39	V	B	0.0000
40	N	B	-0.4700
41	A	B	-0.2898
42	K	B	-1.2556
43	S	B	-0.5169
44	G	B	-0.5039
45	I	B	0.0000
46	G	B	-0.3239
47	K	B	-0.7099
48	I	B	0.0000
49	E	B	-0.9458
50	L	B	0.0000
51	E	B	-0.8230
52	V	B	0.0000
53	R	B	-1.5467
54	T	B	0.0000
55	P	B	-0.2825
56	S	B	-0.1532
57	L	B	-0.1007
58	E	B	-2.1040
59	E	B	-2.1589
60	P	B	-0.5085
61	V	B	0.0374
62	R	B	-1.8445
63	A	B	-0.6699
64	E	B	-1.9095
65	S	B	-0.7046
66	E	B	-1.6446
67	I	B	0.6465
68	T	B	0.4878
69	I	B	1.3334
70	K	B	-1.5776
71	N	B	-1.6548
72	G	B	-1.0152
73	E	B	-2.2109
74	K	B	-1.8070
75	T	B	-0.3253
76	V	B	0.0000
77	K	B	-0.6299
78	V	B	0.0000
79	E	B	-1.4864
80	A	B	0.0000
81	E	B	-1.8797
82	A	B	0.0000
83	E	B	-1.4147
84	V	B	0.0000
85	G	B	-0.7393
86	D	B	-1.8287
87	L	B	0.0000
88	E	B	-1.8592
89	S	B	-0.5894
90	D	B	-0.5540
91	E	B	-1.8596
92	V	B	0.0000
93	E	B	-0.6844
94	V	B	0.0000
95	T	B	-0.2751
96	I	B	0.0000
97	T	B	-0.3179
98	L	B	0.0000
99	Y	B	0.3826
100	P	B	-0.2473
101	G	B	-0.5278