Project name: SH3_S114Q

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA114Q
Energy difference between WT (input) and mutated protein (by FoldX)	-0.942187 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: 1.7861
• Average score: -1.0537
• Total score value: -60.0586

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	0.4906
86	L	A	0.7533
87	F	A	0.8716
88	V	A	0.4165
89	A	A	0.0000
90	L	A	-0.1547
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	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4617
107	E	A	-1.3124
108	K	A	-0.6644
109	F	A	0.0000
110	Q	A	-0.5756
111	I	A	-0.4153
112	L	A	-0.1575
113	N	A	-1.4411
114	Q	A	-2.2740	mutated: SA114Q
115	S	A	-2.1190
116	E	A	-2.8865
117	G	A	-2.4135
118	D	A	-2.6896
119	W	A	-1.3422
120	W	A	-1.5226
121	E	A	-1.4421
122	A	A	0.0000
123	R	A	-1.7463
124	S	A	0.0000
125	L	A	0.0560
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.7059
131	G	A	-1.5156
132	Y	A	-1.0024
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-1.1163
136	N	A	-1.1536
137	Y	A	-0.1278
138	V	A	0.0000
139	A	A	0.4054
140	P	A	0.7625
141	V	A	1.7861