Project name: SH3_E98K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA98K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.333338 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: -2.9825
• Maximal score value: 1.7837
• Average score: -0.9555
• Total score value: -54.464

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
85	T	A	0.5254
86	L	A	0.8108
87	F	A	0.9049
88	V	A	0.3675
89	A	A	0.0000
90	L	A	-0.1749
91	Y	A	-0.5856
92	D	A	-2.5609
93	Y	A	-1.9321
94	E	A	-2.6444
95	A	A	-2.6011
96	R	A	-2.9570
97	T	A	-2.5952
98	K	A	-2.9795	mutated: EA98K
99	D	A	-2.9825
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1911
103	F	A	0.0000
104	H	A	-2.7387
105	K	A	-2.4227
106	G	A	-1.4846
107	E	A	-1.3269
108	K	A	-0.6645
109	F	A	0.0000
110	Q	A	-0.4991
111	I	A	-0.0519
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7014
124	S	A	0.0000
125	L	A	0.1037
126	T	A	-0.4501
127	T	A	-0.8069
128	G	A	-1.3409
129	E	A	-2.2315
130	T	A	-1.6868
131	G	A	-1.4786
132	Y	A	-0.8527
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1511
137	Y	A	-0.1364
138	V	A	0.0000
139	A	A	0.3954
140	P	A	0.7647
141	V	A	1.7837