Project name: SH3_T98Q

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA98Q
Energy difference between WT (input) and mutated protein (by FoldX)	-0.459162 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: 1.2486
• Average score: -0.9546
• Total score value: -57.2769

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	-0.4461
82	S	A	-0.6760
83	H	A	-0.7865
84	M	A	0.2752
85	T	A	0.0000
86	F	A	-0.0936
87	V	A	-0.6167
88	A	A	0.0000
89	L	A	-0.3124
90	Y	A	-0.7364
91	D	A	-2.8522
92	Y	A	-2.0992
93	E	A	-2.8733
94	S	A	0.0000
95	R	A	-2.9247
96	T	A	-2.4938
97	E	A	-2.8965
98	Q	A	-2.3751	mutated: TA98Q
99	D	A	-1.8685
100	L	A	0.0000
101	S	A	-2.0286
102	F	A	0.0000
103	K	A	-3.4835
104	K	A	-2.8614
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0632
108	L	A	0.0000
109	Q	A	-0.2064
110	I	A	0.4452
111	V	A	1.2486
112	N	A	-0.4301
113	N	A	-1.8265
114	T	A	-1.7325
115	E	A	-2.9357
116	G	A	-2.6079
117	D	A	-2.6958
118	W	A	-1.3675
119	W	A	-0.7309
120	L	A	0.2241
121	A	A	0.0000
122	H	A	-0.3827
123	S	A	0.0000
124	L	A	-0.2742
125	T	A	-0.7820
126	T	A	-0.8787
127	G	A	-0.8174
128	Q	A	-1.4068
129	T	A	-0.6814
130	G	A	0.0000
131	Y	A	-0.1684
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3005
135	N	A	-1.2482
136	Y	A	-0.2035
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1460
140	S	A	-0.1759