Project name: SH3_D99S

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99S
Energy difference between WT (input) and mutated protein (by FoldX)	0.525898 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: -3.4749
• Maximal score value: 1.2546
• Average score: -0.8649
• Total score value: -51.8943

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	-0.1025
87	V	A	-0.6177
88	A	A	0.0000
89	L	A	-0.2965
90	Y	A	-0.7101
91	D	A	-2.8328
92	Y	A	-2.0461
93	E	A	-2.8282
94	S	A	0.0000
95	R	A	-2.7240
96	T	A	-2.0560
97	E	A	-2.2611
98	T	A	-1.0833
99	S	A	-0.9893	mutated: DA99S
100	L	A	0.0000
101	S	A	-1.8203
102	F	A	0.0000
103	K	A	-3.4749
104	K	A	-2.8489
105	G	A	-1.9589
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4420
111	V	A	1.2546
112	N	A	-0.4051
113	N	A	-1.7957
114	T	A	-1.7230
115	E	A	-2.9170
116	G	A	-2.5889
117	D	A	-2.6461
118	W	A	-1.2227
119	W	A	-0.6151
120	L	A	0.4864
121	A	A	0.0000
122	H	A	-0.3782
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	-1.3806
129	T	A	-0.4330
130	G	A	0.0000
131	Y	A	0.4097
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2525
135	N	A	-1.2287
136	Y	A	-0.1722
137	V	A	0.0000
138	A	A	-0.0178
139	P	A	-0.1505
140	S	A	-0.1759