Project name: SH3_V87F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA87F
Energy difference between WT (input) and mutated protein (by FoldX)	0.0193243 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: -3.3587
• Maximal score value: 1.2498
• Average score: -0.8257
• Total score value: -49.5392

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
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2661
85	T	A	0.0000
86	F	A	0.3177
87	F	A	0.1475	mutated: VA87F
88	A	A	0.0000
89	L	A	-0.0919
90	Y	A	-0.6312
91	D	A	-2.8378
92	Y	A	-2.0987
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.3587
104	K	A	-2.6626
105	G	A	-1.6419
106	E	A	0.0000
107	R	A	-1.4293
108	L	A	0.0000
109	Q	A	-0.0811
110	I	A	0.4794
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6978
120	L	A	0.4047
121	A	A	0.0000
122	H	A	-0.3234
123	S	A	0.0000
124	L	A	-0.1499
125	T	A	-0.6511
126	T	A	-0.8210
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4950
130	G	A	0.0000
131	Y	A	0.2197
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2853
135	N	A	-1.2391
136	Y	A	-0.0961
137	V	A	0.0000
138	A	A	0.1784
139	P	A	0.0548
140	S	A	0.0663