Project name: 180810TfusB_Aggrescan_Static [mutate: WA16K, WA20K, VA26K, VA101K, VA103K, IA110K, IA135K, LA134K, VA126K, YA128K]

Chain sequence(s)	A: MSENVVLQRSNVRLSWRTKWAARCAVGAARLLARKPPERIRATLLRLRGEVRPATYEEAKAARDAVLAVSLRCAGLRACLQRSLAIALLCRMRGTWATWCVGVPRRPPFIGHAWVEAEGRLVEEGVGYDYFSRLITVD
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA16K, WA20K, VA26K, VA101K, VA103K, IA110K, IA135K, LA134K, VA126K, YA128K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.441668 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: -4.1392
• Maximal score value: 0.4458
• Average score: -0.9711
• Total score value: -134.0142

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	-0.8604
2	S	A	-1.0296
3	E	A	-2.3791
4	N	A	0.0000
5	V	A	-1.6343
6	V	A	-0.9216
7	L	A	0.0000
8	Q	A	-1.8539
9	R	A	-2.4015
10	S	A	-2.0422
11	N	A	-2.0461
12	V	A	-1.2971
13	R	A	0.0000
14	L	A	-1.5170
15	S	A	-1.6913
16	K	A	-2.7272	mutated: WA16K
17	R	A	-3.3136
18	T	A	-2.4338
19	K	A	0.0000
20	K	A	-2.8124	mutated: WA20K
21	A	A	-1.8493
22	A	A	0.0000
23	R	A	0.0000
24	C	A	-0.3326
25	A	A	-0.9271
26	K	A	-1.4518	mutated: VA26K
27	G	A	0.0000
28	A	A	-0.1234
29	A	A	-0.2141
30	R	A	-0.5015
31	L	A	-0.7316
32	L	A	0.0365
33	A	A	-0.7598
34	R	A	-2.3555
35	K	A	-2.4355
36	P	A	-1.0493
37	P	A	-1.2664
38	E	A	-1.7312
39	R	A	0.0000
40	I	A	0.0000
41	R	A	-1.6723
42	A	A	-0.5073
43	T	A	0.0000
44	L	A	-0.7434
45	L	A	-0.4020
46	R	A	-1.1971
47	L	A	0.0000
48	R	A	-1.9859
49	G	A	-1.3455
50	E	A	-1.4936
51	V	A	-0.6547
52	R	A	-1.8765
53	P	A	-0.9611
54	A	A	-0.4424
55	T	A	-0.5003
56	Y	A	-0.0795
57	E	A	-2.0860
58	E	A	0.0000
59	A	A	-1.2199
60	K	A	-2.4214
61	A	A	-1.8673
62	A	A	0.0000
63	R	A	-1.5785
64	D	A	-1.6359
65	A	A	0.0000
66	V	A	0.0000
67	L	A	-0.0975
68	A	A	-0.0646
69	V	A	-0.0700
70	S	A	0.0000
71	L	A	0.4458
72	R	A	-1.1237
73	C	A	-0.8382
74	A	A	-0.6564
75	G	A	-1.1810
76	L	A	0.0000
77	R	A	-1.6874
78	A	A	-0.6662
79	C	A	-0.7783
80	L	A	0.0013
81	Q	A	-0.3218
82	R	A	0.0000
83	S	A	0.0000
84	L	A	0.3042
85	A	A	0.1426
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	-0.1293
92	M	A	0.0000
93	R	A	0.0000
94	G	A	-0.4879
95	T	A	0.0000
96	W	A	0.1991
97	A	A	0.0000
98	T	A	0.0000
99	W	A	-0.4172
100	C	A	0.0000
101	K	A	-2.5455	mutated: VA101K
102	G	A	0.0000
103	K	A	-3.7950	mutated: VA103K
104	P	A	0.0000
105	R	A	-3.4894
106	R	A	-1.8975
107	P	A	-1.1701
108	P	A	-0.6204
109	F	A	-0.8544
110	K	A	-2.6577	mutated: IA110K
111	G	A	-2.1262
112	H	A	0.0000
113	A	A	0.0000
114	W	A	-1.0764
115	V	A	0.0000
116	E	A	0.0000
117	A	A	0.0000
118	E	A	-1.0851
119	G	A	-1.0384
120	R	A	-0.5449
121	L	A	0.1014
122	V	A	-0.0727
123	E	A	-1.3359
124	E	A	0.0000
125	G	A	-1.2577
126	K	A	-2.4429	mutated: VA126K
127	G	A	0.0000
128	K	A	-2.9517	mutated: YA128K
129	D	A	-2.6980
130	Y	A	-1.3227
131	F	A	0.0000
132	S	A	-2.6231
133	R	A	-3.8497
134	K	A	-4.1392	mutated: LA134K
135	K	A	-3.6127	mutated: IA135K
136	T	A	-2.1743
137	V	A	-1.8390
138	D	A	-2.1442