Project name: SH3_Q110A

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA110A
Energy difference between WT (input) and mutated protein (by FoldX)	0.6219 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: -0.8984
• Total score value: -51.2061

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	0.6590
86	L	A	1.0544
87	F	A	1.1002
88	V	A	0.5271
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	-3.0435
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2060
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.2929
108	K	A	-0.4675
109	F	A	0.0000
110	A	A	0.2206	mutated: QA110A
111	I	A	0.3305
112	L	A	0.3896
113	N	A	-0.7752
114	S	A	-1.1623
115	S	A	-1.5884
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-0.9672
121	E	A	-1.0290
122	A	A	0.0000
123	R	A	-1.4192
124	S	A	0.0000
125	L	A	0.2839
126	T	A	-0.4326
127	T	A	-0.7956
128	G	A	-1.2524
129	E	A	-2.2180
130	T	A	-1.5783
131	G	A	-1.4822
132	Y	A	-0.8535
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	0.8449
141	V	A	1.7964