Project name: SH3_H104S

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	HA104S
Energy difference between WT (input) and mutated protein (by FoldX)	0.897636 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: -3.1042
• Maximal score value: 1.7964
• Average score: -0.9036
• Total score value: -51.5061

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	0.5173
86	L	A	0.7932
87	F	A	0.9255
88	V	A	0.5292
89	A	A	0.0000
90	L	A	-0.0227
91	Y	A	-0.3650
92	D	A	-2.1851
93	Y	A	-1.7262
94	E	A	-2.5278
95	A	A	-2.6306
96	R	A	-2.9870
97	T	A	-2.6622
98	E	A	-3.1042
99	D	A	-3.0447
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.0501
103	F	A	0.0000
104	S	A	-1.8968	mutated: HA104S
105	K	A	-1.9953
106	G	A	-1.2321
107	E	A	-1.0428
108	K	A	-0.5361
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
112	L	A	0.1429
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	-1.1530
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.0615
126	T	A	-0.3831
127	T	A	-0.8194
128	G	A	-1.3572
129	E	A	-2.2415
130	T	A	-1.6939
131	G	A	-1.5009
132	Y	A	-0.8689
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964