Project name: SH3_D99G

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99G
Energy difference between WT (input) and mutated protein (by FoldX)	0.652823 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: -3.4457
• Maximal score value: 1.2561
• Average score: -0.8994
• Total score value: -53.9636

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	-0.1090
87	V	A	-0.6279
88	A	A	0.0000
89	L	A	-0.3070
90	Y	A	-0.7067
91	D	A	-2.7858
92	Y	A	-1.9457
93	E	A	-2.7898
94	S	A	-2.0811
95	R	A	-2.7379
96	T	A	-2.0851
97	E	A	-2.2848
98	T	A	-1.1184
99	G	A	-1.0455	mutated: DA99G
100	L	A	0.0000
101	S	A	-1.8047
102	F	A	0.0000
103	K	A	-3.4457
104	K	A	-2.8413
105	G	A	-1.9610
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2489
110	I	A	0.4434
111	V	A	1.2561
112	N	A	-0.3997
113	N	A	-1.7888
114	T	A	-1.7190
115	E	A	-2.9092
116	G	A	-2.5811
117	D	A	-2.6316
118	W	A	-1.2066
119	W	A	-0.6056
120	L	A	0.4871
121	A	A	0.0000
122	H	A	-0.3766
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	-1.3877
129	T	A	-0.4431
130	G	A	0.0000
131	Y	A	0.3940
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2614
135	N	A	-1.2547
136	Y	A	-0.2121
137	V	A	0.0000
138	A	A	-0.0300
139	P	A	-0.1505
140	S	A	-0.1759