Project name: SH3_S114M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA114M
Energy difference between WT (input) and mutated protein (by FoldX)	-2.00053 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: 1.7816
• Average score: -0.8999
• Total score value: -51.2935

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	0.4889
86	L	A	0.7488
87	F	A	0.8602
88	V	A	0.4100
89	A	A	0.0000
90	L	A	-0.1563
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	-1.4633
107	E	A	-1.3144
108	K	A	-0.6676
109	F	A	0.0000
110	Q	A	-0.5743
111	I	A	0.0386
112	L	A	0.3075
113	N	A	-0.4522
114	M	A	-0.2307	mutated: SA114M
115	S	A	-1.1208
116	E	A	-2.2677
117	G	A	-1.8860
118	D	A	-2.2320
119	W	A	-0.9078
120	W	A	-0.7246
121	E	A	-0.9679
122	A	A	0.0000
123	R	A	-1.7440
124	S	A	0.0000
125	L	A	0.0547
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.7050
131	G	A	-1.5143
132	Y	A	-0.7836
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.7859
136	N	A	-1.1533
137	Y	A	-0.1293
138	V	A	0.0000
139	A	A	0.4009
140	P	A	0.7568
141	V	A	1.7816