Project name: SH3_K108F

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA108F
Energy difference between WT (input) and mutated protein (by FoldX)	0.0372788 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: 2.1379
• Average score: -0.7848
• Total score value: -44.7317

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	0.5487
86	L	A	1.3451
87	F	A	1.5640
88	V	A	1.2658
89	A	A	0.0000
90	L	A	0.0795
91	Y	A	-0.5468
92	D	A	-2.5269
93	Y	A	-1.9318
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	-2.4442
105	K	A	-2.0478
106	G	A	-0.7701
107	E	A	-0.2712
108	F	A	1.3695	mutated: KA108F
109	F	A	0.0000
110	Q	A	-0.0594
111	I	A	0.1734
112	L	A	0.1429
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	-1.1530
122	A	A	0.0000
123	R	A	-1.3961
124	S	A	0.0000
125	L	A	0.7668
126	T	A	0.0195
127	T	A	-0.5982
128	G	A	-1.3334
129	E	A	-2.2276
130	T	A	-1.6841
131	G	A	-1.4992
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1508
137	Y	A	-0.1414
138	V	A	0.0000
139	A	A	0.6433
140	P	A	1.0113
141	V	A	2.1379