Project name: 180810TfusB_Aggrescan_Static [mutate: WA20R, AA25R, VA26R, AA28R, VA101R, VA103R, VA126R, YA128R] [mutate: RA20K, RA25K, RA26K, RA28K, RA101K, RA103K, RA126K, RA128K]

Chain sequence(s)	A: MSENVVLQRSNVRLSWRTKRAARCRRGRARLLARKPPERIRATLLRLRGEVRPATYEEAKAARDAVLAVSLRCAGLRACLQRSLAIALLCRMRGTWATWCRGRPRRPPFIGHAWVEAEGRLVEEGRGRDYFSRLITVD
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA20K, RA25K, RA26K, RA28K, RA101K, RA103K, RA126K, RA128K
Energy difference between WT (input) and mutated protein (by FoldX)	-1.75368 kcal/mol Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -3.182
• Maximal score value: 1.1571
• Average score: -0.7258
• Total score value: -100.1653

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	-1.1894
2	S	A	-0.8816
3	E	A	-2.4144
4	N	A	0.0000
5	V	A	-1.5469
6	V	A	-0.7650
7	L	A	0.0000
8	Q	A	-1.8402
9	R	A	-2.3156
10	S	A	-1.6932
11	N	A	-2.0564
12	V	A	-0.8336
13	R	A	0.0000
14	L	A	-0.4266
15	S	A	-0.4405
16	W	A	-0.0228
17	R	A	-2.3295
18	T	A	-1.8360
19	K	A	0.0000
20	K	A	-3.1820	mutated: RA20K
21	A	A	-2.1016
22	A	A	0.0000
23	R	A	0.0000
24	C	A	-1.6471
25	K	A	-2.9441	mutated: RA25K
26	K	A	-2.4814	mutated: RA26K
27	G	A	0.0000
28	K	A	-1.6065	mutated: RA28K
29	A	A	-1.0333
30	R	A	-1.0023
31	L	A	0.0000
32	L	A	-0.4538
33	A	A	-0.8940
34	R	A	-2.3930
35	K	A	-2.5393
36	P	A	-1.4909
37	P	A	-1.4217
38	E	A	-1.7452
39	R	A	0.0000
40	I	A	0.0000
41	R	A	-1.6877
42	A	A	-0.4959
43	T	A	0.0000
44	L	A	-0.7156
45	L	A	-0.3849
46	R	A	-1.1964
47	L	A	0.0000
48	R	A	-1.9847
49	G	A	-1.3606
50	E	A	-1.5220
51	V	A	-0.7285
52	R	A	-1.9225
53	P	A	-0.9863
54	A	A	-0.4561
55	T	A	-0.5121
56	Y	A	-0.0799
57	E	A	-2.0821
58	E	A	0.0000
59	A	A	-1.2048
60	K	A	-2.3976
61	A	A	-1.8424
62	A	A	0.0000
63	R	A	-1.4940
64	D	A	-1.5798
65	A	A	0.0000
66	V	A	0.0000
67	L	A	-0.0720
68	A	A	-0.0484
69	V	A	-0.0618
70	S	A	0.0000
71	L	A	0.4471
72	R	A	-1.1240
73	C	A	-0.8385
74	A	A	-0.6554
75	G	A	-1.1749
76	L	A	0.0000
77	R	A	-1.6150
78	A	A	-0.1557
79	C	A	-0.1231
80	L	A	0.2456
81	Q	A	0.0000
82	R	A	0.0000
83	S	A	0.0000
84	L	A	0.0000
85	A	A	0.0000
86	I	A	0.0000
87	A	A	0.0000
88	L	A	0.0000
89	L	A	0.0000
90	C	A	0.0000
91	R	A	-0.0945
92	M	A	-0.2011
93	R	A	0.0000
94	G	A	-0.4698
95	T	A	0.0000
96	W	A	0.2210
97	A	A	0.0000
98	T	A	0.0000
99	W	A	0.0000
100	C	A	0.0000
101	K	A	-0.7168	mutated: RA101K
102	G	A	0.0000
103	K	A	-1.4787	mutated: RA103K
104	P	A	0.0000
105	R	A	-1.6671
106	R	A	-0.9010
107	P	A	-0.1349
108	P	A	0.2368
109	F	A	1.1571
110	I	A	0.9764
111	G	A	0.0042
112	H	A	0.0000
113	A	A	0.0000
114	W	A	-0.2742
115	V	A	0.0000
116	E	A	0.0000
117	A	A	0.0000
118	E	A	-1.0862
119	G	A	-1.0445
120	R	A	-0.5330
121	L	A	0.1250
122	V	A	0.0351
123	E	A	-1.0758
124	E	A	0.0000
125	G	A	-1.0767
126	K	A	-2.2883	mutated: RA126K
127	G	A	0.0000
128	K	A	-2.8966	mutated: RA128K
129	D	A	-2.6994
130	Y	A	-1.3368
131	F	A	0.0000
132	S	A	-1.7383
133	R	A	-1.9101
134	L	A	-0.3066
135	I	A	0.7092
136	T	A	-0.0936
137	V	A	-0.5379
138	D	A	-1.7303