Project name: SH3_S135E

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA135E
Energy difference between WT (input) and mutated protein (by FoldX)	0.153308 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: -1.0169
• Total score value: -57.9614

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	0.5177
86	L	A	0.7936
87	F	A	0.8382
88	V	A	0.4316
89	A	A	0.0000
90	L	A	-0.1506
91	Y	A	-0.5743
92	D	A	-2.5596
93	Y	A	-1.9312
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	-2.4057
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6424
109	F	A	0.0000
110	Q	A	-0.5122
111	I	A	-0.1375
112	L	A	0.1370
113	N	A	-0.9152
114	S	A	-1.3288
115	S	A	-1.6194
116	E	A	-2.5944
117	G	A	-2.2794
118	D	A	-2.7370
119	W	A	-1.4622
120	W	A	-1.3498
121	E	A	-1.2846
122	A	A	0.0000
123	R	A	-1.7193
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6925
131	G	A	-1.5189
132	Y	A	-1.0092
133	I	A	0.0000
134	P	A	0.0000
135	E	A	-1.6656	mutated: SA135E
136	N	A	-1.5065
137	Y	A	-0.3595
138	V	A	0.0000
139	A	A	0.2993
140	P	A	0.7757
141	V	A	1.7964