Project name: SH3_L86F

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA86F
Energy difference between WT (input) and mutated protein (by FoldX)	0.510849 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: 1.981
• Average score: -0.9272
• Total score value: -52.8512

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	0.8319
86	F	A	1.3935	mutated: LA86F
87	F	A	1.2097
88	V	A	0.5442
89	A	A	0.0000
90	L	A	-0.1534
91	Y	A	-0.5750
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	-2.7304
105	K	A	-2.4086
106	G	A	-1.4630
107	E	A	-1.3697
108	K	A	-0.5739
109	F	A	0.0000
110	Q	A	-0.2514
111	I	A	0.1318
112	L	A	0.1842
113	N	A	-0.8687
114	S	A	-1.1749
115	S	A	-1.5943
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0419
121	E	A	-1.1333
122	A	A	0.0000
123	R	A	-1.6810
124	S	A	0.0000
125	L	A	-0.1058
126	T	A	-0.6029
127	T	A	-0.8954
128	G	A	-1.4231
129	E	A	-2.2791
130	T	A	-1.7048
131	G	A	-1.4955
132	Y	A	-0.8643
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9201
136	N	A	-1.1504
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.5037
140	P	A	0.9560
141	V	A	1.9810