Project name: 180810TfusB_Aggrescan_Static [mutate: WA20R, AA25R, VA26R, AA28R, VA101R, VA103R, VA126R, YA128R]

Chain sequence(s)	A: MSENVVLQRSNVRLSWRTKWAARCAVGAARLLARKPPERIRATLLRLRGEVRPATYEEAKAARDAVLAVSLRCAGLRACLQRSLAIALLCRMRGTWATWCVGVPRRPPFIGHAWVEAEGRLVEEGVGYDYFSRLITVD
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA20R, AA25R, VA26R, AA28R, VA101R, VA103R, VA126R, YA128R
Energy difference between WT (input) and mutated protein (by FoldX)	0.880112 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: -3.8021
• Maximal score value: 1.0816
• Average score: -0.8125
• Total score value: -112.123

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	-1.7327
2	S	A	-1.2496
3	E	A	-3.0235
4	N	A	0.0000
5	V	A	-1.8482
6	V	A	-1.0288
7	L	A	0.0000
8	Q	A	-1.9084
9	R	A	-2.4272
10	S	A	-1.7784
11	N	A	-2.0882
12	V	A	-0.8637
13	R	A	0.0000
14	L	A	-0.3885
15	S	A	-0.4029
16	W	A	0.0385
17	R	A	-2.2649
18	T	A	-1.8105
19	K	A	0.0000
20	R	A	-3.2171	mutated: WA20R
21	A	A	-2.2988
22	A	A	0.0000
23	R	A	0.0000
24	C	A	-2.2171
25	R	A	-3.8021	mutated: AA25R
26	R	A	-3.5294	mutated: VA26R
27	G	A	0.0000
28	R	A	-2.5042	mutated: AA28R
29	A	A	-1.6518
30	R	A	-1.4112
31	L	A	0.0000
32	L	A	-0.7922
33	A	A	-0.9832
34	R	A	-2.4052
35	K	A	-2.6237
36	P	A	-1.7354
37	P	A	-1.5632
38	E	A	-1.7514
39	R	A	0.0000
40	I	A	0.0000
41	R	A	-1.7045
42	A	A	-0.5028
43	T	A	0.0000
44	L	A	-0.7255
45	L	A	-0.4014
46	R	A	-1.2075
47	L	A	0.0000
48	R	A	-1.9867
49	G	A	-1.3654
50	E	A	-1.5182
51	V	A	-0.7107
52	R	A	-1.9129
53	P	A	-0.9804
54	A	A	-0.4527
55	T	A	-0.5086
56	Y	A	-0.0795
57	E	A	-2.0866
58	E	A	0.0000
59	A	A	-1.2214
60	K	A	-2.4235
61	A	A	-1.8691
62	A	A	0.0000
63	R	A	-1.5620
64	D	A	-1.6390
65	A	A	0.0000
66	V	A	0.0000
67	L	A	-0.1005
68	A	A	-0.0663
69	V	A	-0.0722
70	S	A	0.0000
71	L	A	0.4466
72	R	A	-1.1243
73	C	A	-0.8387
74	A	A	-0.6554
75	G	A	-1.1750
76	L	A	0.0000
77	R	A	-1.6158
78	A	A	-0.1571
79	C	A	-0.2945
80	L	A	0.1171
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	-0.1056
92	M	A	-0.2042
93	R	A	0.0000
94	G	A	-0.4732
95	T	A	0.0000
96	W	A	0.1982
97	A	A	0.0000
98	T	A	0.0000
99	W	A	0.0000
100	C	A	0.0000
101	R	A	-1.1144	mutated: VA101R
102	G	A	0.0000
103	R	A	-2.1521	mutated: VA103R
104	P	A	0.0000
105	R	A	-1.9029
106	R	A	-1.0037
107	P	A	-0.1345
108	P	A	0.2373
109	F	A	1.0816
110	I	A	0.8176
111	G	A	-0.3443
112	H	A	0.0000
113	A	A	0.0000
114	W	A	-0.4800
115	V	A	0.0000
116	E	A	0.0000
117	A	A	0.0000
118	E	A	-1.0873
119	G	A	-1.0442
120	R	A	-0.5319
121	L	A	0.1237
122	V	A	-0.0361
123	E	A	-1.2594
124	E	A	0.0000
125	G	A	-1.2858
126	R	A	-2.7239	mutated: VA126R
127	G	A	0.0000
128	R	A	-3.1658	mutated: YA128R
129	D	A	-2.8230
130	Y	A	-1.4349
131	F	A	0.0000
132	S	A	-1.8746
133	R	A	-2.0635
134	L	A	-0.5068
135	I	A	0.9304
136	T	A	0.0351
137	V	A	-0.4752
138	D	A	-1.6621