Project name: SH3_E98Q

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA98Q
Energy difference between WT (input) and mutated protein (by FoldX)	-0.24048 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: -2.8566
• Maximal score value: 1.7911
• Average score: -0.9449
• Total score value: -53.8572

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	0.4996
86	L	A	0.7278
87	F	A	0.8804
88	V	A	0.3956
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	-2.6453
95	A	A	-2.5077
96	R	A	-2.8566
97	T	A	-2.3568
98	Q	A	-2.4813	mutated: EA98Q
99	D	A	-2.7394
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1328
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3553
108	K	A	-0.7344
109	F	A	0.0000
110	Q	A	-0.5988
111	I	A	-0.0401
112	L	A	0.2174
113	N	A	-0.8484
114	S	A	-1.1574
115	S	A	-1.5858
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0438
121	E	A	-1.1338
122	A	A	0.0000
123	R	A	-1.7972
124	S	A	0.0000
125	L	A	-0.1889
126	T	A	-0.5900
127	T	A	-0.8907
128	G	A	-1.4402
129	E	A	-2.2846
130	T	A	-1.7225
131	G	A	-1.3872
132	Y	A	-0.7839
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	0.4133
140	P	A	0.7653
141	V	A	1.7911