Project name: SH3_K108Q

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA108Q
Energy difference between WT (input) and mutated protein (by FoldX)	0.824036 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: -3.1028
• Maximal score value: 1.8553
• Average score: -0.9383
• Total score value: -53.4821

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
85	T	A	0.5516
86	L	A	0.8750
87	F	A	1.0036
88	V	A	0.5424
89	A	A	0.0000
90	L	A	-0.0853
91	Y	A	-0.5315
92	D	A	-2.5247
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.6559
105	K	A	-2.2813
106	G	A	-1.2070
107	E	A	-1.1698
108	Q	A	-0.5020	mutated: KA108Q
109	F	A	0.0000
110	Q	A	-0.4836
111	I	A	-0.0305
112	L	A	0.1430
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1529
122	A	A	0.0000
123	R	A	-1.7175
124	S	A	0.0000
125	L	A	0.0048
126	T	A	-0.4743
127	T	A	-0.8377
128	G	A	-1.3859
129	E	A	-2.2551
130	T	A	-1.7029
131	G	A	-1.4991
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1256
138	V	A	0.0000
139	A	A	0.4580
140	P	A	0.8061
141	V	A	1.8553