Project name: SH3_T98R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA98R
Energy difference between WT (input) and mutated protein (by FoldX)	-1.1961 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: -3.4835
• Maximal score value: 1.2355
• Average score: -0.9871
• Total score value: -59.2254

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	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3122
90	Y	A	-0.7361
91	D	A	-2.8518
92	Y	A	-2.0925
93	E	A	-2.8646
94	S	A	0.0000
95	R	A	-2.9983
96	T	A	-2.6688
97	E	A	-3.1913
98	R	A	-2.9942	mutated: TA98R
99	D	A	-2.1274
100	L	A	0.0000
101	S	A	-2.0861
102	F	A	0.0000
103	K	A	-3.4835
104	K	A	-2.8612
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4230
111	V	A	1.2355
112	N	A	-0.4365
113	N	A	-1.8274
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6973
118	W	A	-1.3645
119	W	A	-0.7278
120	L	A	0.1411
121	A	A	0.0000
122	H	A	-0.4014
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.4021
129	T	A	-0.7810
130	G	A	0.0000
131	Y	A	-0.3180
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3016
135	N	A	-1.2485
136	Y	A	-0.2035
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759