Project name: SH3_L86K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA86K
Energy difference between WT (input) and mutated protein (by FoldX)	0.522242 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: 1.3745
• Average score: -1.1042
• Total score value: -62.9386

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	-0.2349
86	K	A	-0.7382	mutated: LA86K
87	F	A	0.0980
88	V	A	-0.0300
89	A	A	0.0000
90	L	A	-0.1718
91	Y	A	-0.5856
92	D	A	-2.5609
93	Y	A	-1.9321
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	-3.0436
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2061
103	F	A	0.0000
104	H	A	-2.7352
105	K	A	-2.4187
106	G	A	-1.4772
107	E	A	-1.3808
108	K	A	-1.1725
109	F	A	0.0000
110	Q	A	-1.5406
111	I	A	-0.5508
112	L	A	0.0921
113	N	A	-0.9142
114	S	A	-1.1623
115	S	A	-1.5884
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0884
121	E	A	-1.1900
122	A	A	0.0000
123	R	A	-2.0239
124	S	A	0.0000
125	L	A	-0.4821
126	T	A	-0.5999
127	T	A	-0.8925
128	G	A	-1.4881
129	E	A	-2.2698
130	T	A	-1.7551
131	G	A	-1.4796
132	Y	A	-0.8519
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9195
136	N	A	-1.1511
137	Y	A	-0.1364
138	V	A	0.0000
139	A	A	0.1994
140	P	A	0.3306
141	V	A	1.3745