Project name: msa2 S25H mutants [mutate: TA20K, YA22K, TA30K, TA32R]

Chain sequence(s)	A: GAEAGITGTWYNQHGSTFTVTAGADGNLTGQYENRAQGTGCQNSPYTLTGRYNGTKLEWRVEWNNSTENCHSRTEWRGQYQGGAEARINTQWNLTYEGGSGPATEQGQDTFTKVK
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA20K, YA22K, TA30K, TA32R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.771313 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: -3.3565
• Maximal score value: 0.0
• Average score: -1.52
• Total score value: -174.7961

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
12	G	A	-0.7517
13	A	A	-0.6133
14	E	A	-1.3281
15	A	A	-0.5689
16	G	A	-0.5969
17	I	A	0.0000
18	T	A	-1.3341
19	G	A	-1.4607
20	K	A	-2.0587	mutated: TA20K
21	W	A	0.0000
22	K	A	-2.0579	mutated: YA22K
23	N	A	-2.0872
24	Q	A	-2.1860
25	H	A	-2.1606
26	G	A	-1.7239
27	S	A	0.0000
28	T	A	-1.5856
29	F	A	0.0000
30	K	A	-2.0991	mutated: TA30K
31	V	A	0.0000
32	R	A	-2.4889	mutated: TA32R
33	A	A	0.0000
34	G	A	-1.8384
35	A	A	-1.5493
36	D	A	-2.4958
37	G	A	-2.2493
38	N	A	-2.4365
39	L	A	0.0000
40	T	A	-1.6193
41	G	A	-1.4431
42	Q	A	-1.5174
43	Y	A	0.0000
44	E	A	0.0000
45	N	A	0.0000
46	R	A	-1.9423
47	A	A	-1.7917
47A	Q	A	-1.9005
47B	G	A	-1.2773
48	T	A	-0.9590
49	G	A	-1.3233
50	C	A	0.0000
51	Q	A	-1.6689
51A	N	A	-1.6936
52	S	A	-1.2620
53	P	A	-1.1314
54	Y	A	0.0000
55	T	A	-1.3127
56	L	A	0.0000
57	T	A	-1.7594
58	G	A	-2.0473
59	R	A	-3.3565
60	Y	A	-2.8547
61	N	A	-2.8143
70	G	A	-1.6114
71	T	A	-1.6716
72	K	A	-2.9690
73	L	A	0.0000
74	E	A	-3.1699
75	W	A	0.0000
76	R	A	-2.6930
77	V	A	0.0000
78	E	A	-3.3420
79	W	A	0.0000
80	N	A	-3.1086
81	N	A	-1.9333
82	S	A	-1.1479
83	T	A	-1.2172
84	E	A	-2.2217
85	N	A	-2.6370
86	C	A	-2.0941
87	H	A	-2.5348
88	S	A	-2.1188
89	R	A	-2.7164
90	T	A	0.0000
91	E	A	-2.5110
92	W	A	0.0000
93	R	A	-2.9084
94	G	A	0.0000
95	Q	A	-2.7404
96	Y	A	-1.8424
97	Q	A	-2.4428
98	G	A	-1.8298
99	G	A	-1.6899
100	A	A	-1.6301
101	E	A	-2.7313
102	A	A	-2.2656
103	R	A	-2.6196
104	I	A	0.0000
105	N	A	-2.3498
106	T	A	0.0000
107	Q	A	-2.6821
108	W	A	-2.1348
109	N	A	-1.9644
110	L	A	-1.3746
111	T	A	-1.5421
112	Y	A	-1.4999
113	E	A	-2.5487
114	G	A	-1.8118
115	G	A	-1.3925
119	S	A	-1.0617
120	G	A	-1.2153
121	P	A	-1.2519
122	A	A	-1.1002
123	T	A	-1.3736
124	E	A	-1.9815
125	Q	A	-2.5002
126	G	A	-1.9017
127	Q	A	-2.3583
128	D	A	0.0000
129	T	A	-1.7691
130	F	A	0.0000
131	T	A	-1.9893
132	K	A	-1.9390
133	V	A	-1.3436
134	K	A	-1.9664