Project name: SH3_Q110C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA110C
Energy difference between WT (input) and mutated protein (by FoldX)	0.351229 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: 1.7964
• Average score: -0.9063
• Total score value: -51.6618

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	0.7051
86	L	A	1.0939
87	F	A	1.1514
88	V	A	0.5520
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
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	-3.0433
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3005
108	K	A	-0.4851
109	F	A	0.0000
110	C	A	0.3390	mutated: QA110C
111	I	A	0.3910
112	L	A	0.4498
113	N	A	-0.7124
114	S	A	-1.1451
115	S	A	-1.5793
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-0.9675
121	E	A	-1.0469
122	A	A	0.0000
123	R	A	-1.6962
124	S	A	0.0000
125	L	A	0.2066
126	T	A	-0.4994
127	T	A	-0.8597
128	G	A	-1.3416
129	E	A	-2.3338
130	T	A	-1.7014
131	G	A	-1.5536
132	Y	A	-0.8941
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9195
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.8677
141	V	A	1.7964