Project name: SH3_K104V

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA104V
Energy difference between WT (input) and mutated protein (by FoldX)	0.30977 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: -2.9343
• Maximal score value: 1.2558
• Average score: -0.6689
• Total score value: -40.1358

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
81	G	A	-0.4506
82	S	A	-0.6820
83	H	A	-0.7908
84	M	A	0.2676
85	T	A	0.0000
86	F	A	-0.0669
87	V	A	0.0868
88	A	A	0.0000
89	L	A	1.1841
90	Y	A	0.8220
91	D	A	-1.5700
92	Y	A	-1.5274
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1546
97	E	A	-2.3532
98	T	A	-1.2427
99	D	A	-1.3251
100	L	A	0.0000
101	S	A	-1.9042
102	F	A	0.0000
103	K	A	-1.8112
104	V	A	0.5538	mutated: KA104V
105	G	A	-0.2699
106	E	A	0.0000
107	R	A	-1.6439
108	L	A	0.0000
109	Q	A	-0.2441
110	I	A	0.4416
111	V	A	1.2558
112	N	A	-0.4087
113	N	A	-1.8092
114	T	A	-1.7294
115	E	A	-2.9343
116	G	A	-2.6073
117	D	A	-2.6850
118	W	A	-1.3424
119	W	A	-0.6960
120	L	A	0.4072
121	A	A	0.0000
122	H	A	-0.3823
123	S	A	0.0000
124	L	A	-0.2788
125	T	A	-0.7802
126	T	A	-0.8782
127	G	A	-0.8170
128	Q	A	-1.4119
129	T	A	-0.4956
130	G	A	0.0000
131	Y	A	0.2160
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2863
135	N	A	-1.2011
136	Y	A	0.3583
137	V	A	0.0000
138	A	A	0.0425
139	P	A	-0.1501
140	S	A	-0.1759