Project name: SH3_S114K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA114K
Energy difference between WT (input) and mutated protein (by FoldX)	-1.62094 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: 1.7826
• Average score: -1.0898
• Total score value: -62.1195

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	0.4956
86	L	A	0.7580
87	F	A	0.8700
88	V	A	0.4115
89	A	A	0.0000
90	L	A	-0.1559
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	-1.4629
107	E	A	-1.3140
108	K	A	-0.6629
109	F	A	0.0000
110	Q	A	-0.5574
111	I	A	-0.4855
112	L	A	-0.2510
113	N	A	-1.6737
114	K	A	-2.7694	mutated: SA114K
115	S	A	-2.3659
116	E	A	-3.0402
117	G	A	-2.5449
118	D	A	-2.8043
119	W	A	-1.4529
120	W	A	-1.7163
121	E	A	-1.5505
122	A	A	0.0000
123	R	A	-1.7366
124	S	A	0.0000
125	L	A	0.0550
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.7009
131	G	A	-1.5127
132	Y	A	-1.0538
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-1.1965
136	N	A	-1.1546
137	Y	A	-0.1290
138	V	A	0.0000
139	A	A	0.4020
140	P	A	0.7581
141	V	A	1.7826