Project name: SH3_K108V

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA108V
Energy difference between WT (input) and mutated protein (by FoldX)	0.0722194 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: 2.0214
• Average score: -0.8506
• Total score value: -48.4855

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	0.5563
86	L	A	1.1782
87	F	A	1.3534
88	V	A	0.9871
89	A	A	0.0000
90	L	A	-0.0228
91	Y	A	-0.5730
92	D	A	-2.5595
93	Y	A	-1.9315
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	-2.5807
105	K	A	-2.2368
106	G	A	-1.1450
107	E	A	-0.7051
108	V	A	0.6068	mutated: KA108V
109	F	A	0.0000
110	Q	A	-0.2063
111	I	A	0.0895
112	L	A	0.1430
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	-1.1529
122	A	A	0.0000
123	R	A	-1.5067
124	S	A	0.0000
125	L	A	0.5460
126	T	A	-0.1642
127	T	A	-0.6722
128	G	A	-1.3296
129	E	A	-2.2255
130	T	A	-1.6825
131	G	A	-1.4991
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1227
138	V	A	0.0000
139	A	A	0.5702
140	P	A	0.9465
141	V	A	2.0214