Project name: SH3_V88K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA88K
Energy difference between WT (input) and mutated protein (by FoldX)	0.334428 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: 1.4488
• Average score: -1.0621
• Total score value: -60.5421

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	0.3918
86	L	A	0.5191
87	F	A	0.3232
88	K	A	-0.7904	mutated: VA88K
89	A	A	0.0000
90	L	A	-0.4965
91	Y	A	-0.7452
92	D	A	-2.5680
93	Y	A	-1.9364
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	-2.8710
105	K	A	-2.6475
106	G	A	-1.8408
107	E	A	-1.6797
108	K	A	-1.1462
109	F	A	0.0000
110	Q	A	-0.6556
111	I	A	-0.0556
112	L	A	0.1430
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	-1.1529
122	A	A	0.0000
123	R	A	-1.7028
124	S	A	0.0000
125	L	A	-0.0278
126	T	A	-0.4488
127	T	A	-0.8070
128	G	A	-1.3446
129	E	A	-2.2334
130	T	A	-1.6879
131	G	A	-1.4991
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9210
136	N	A	-1.1565
137	Y	A	-0.3259
138	V	A	0.0000
139	A	A	0.0121
140	P	A	0.4573
141	V	A	1.4488