Project name: SH3_V141K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA141K
Energy difference between WT (input) and mutated protein (by FoldX)	0.731707 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: -3.1028
• Maximal score value: 0.1939
• Average score: -1.1264
• Total score value: -64.205

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	-0.2864
86	L	A	-0.3034
87	F	A	-0.2465
88	V	A	-0.4947
89	A	A	0.0000
90	L	A	-0.0861
91	Y	A	-0.5328
92	D	A	-2.5183
93	Y	A	-1.9312
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.6463
105	K	A	-2.2668
106	G	A	-1.5227
107	E	A	-1.1045
108	K	A	-1.0004
109	F	A	0.0000
110	Q	A	-0.4820
111	I	A	-0.0493
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	-1.6713
124	S	A	0.0000
125	L	A	0.1939
126	T	A	-0.3604
127	T	A	-0.7756
128	G	A	-1.3277
129	E	A	-2.2246
130	T	A	-1.6820
131	G	A	-1.4992
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1501
137	Y	A	-0.1373
138	V	A	0.0000
139	A	A	-0.4702
140	P	A	-0.9394
141	K	A	-1.6622	mutated: VA141K