Project name: SH3_T98V

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA98V
Energy difference between WT (input) and mutated protein (by FoldX)	-0.306831 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: -3.4841
• Maximal score value: 1.2525
• Average score: -0.8127
• Total score value: -48.7595

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	-0.1034
87	V	A	-0.6218
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8530
92	Y	A	-2.1030
93	E	A	-2.8782
94	S	A	0.0000
95	R	A	-2.5597
96	T	A	-1.6520
97	E	A	-1.5663
98	V	A	0.3738	mutated: TA98V
99	D	A	-0.5335
100	L	A	0.0000
101	S	A	-1.7299
102	F	A	0.0000
103	K	A	-3.4841
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0707
108	L	A	0.0000
109	Q	A	-0.2441
110	I	A	0.4384
111	V	A	1.2525
112	N	A	-0.4125
113	N	A	-1.8122
114	T	A	-1.7294
115	E	A	-2.9343
116	G	A	-2.6073
117	D	A	-2.6879
118	W	A	-1.3469
119	W	A	-0.7024
120	L	A	0.6036
121	A	A	0.0000
122	H	A	-0.3862
123	S	A	0.0000
124	L	A	-0.2789
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.4093
129	T	A	-0.2435
130	G	A	0.0000
131	Y	A	0.6163
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2900
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1501
140	S	A	-0.1759