Project name: SH3_K108L

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA108L
Energy difference between WT (input) and mutated protein (by FoldX)	-0.906668 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: 1.983
• Average score: -0.8615
• Total score value: -49.1038

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	0.5079
86	L	A	1.0799
87	F	A	1.2879
88	V	A	0.9197
89	A	A	0.0000
90	L	A	-0.0329
91	Y	A	-0.5791
92	D	A	-2.5588
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	-2.5826
105	K	A	-2.2414
106	G	A	-1.1508
107	E	A	-0.7154
108	L	A	0.5765	mutated: KA108L
109	F	A	0.0000
110	Q	A	-0.2473
111	I	A	0.0731
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	-1.5211
124	S	A	0.0000
125	L	A	0.5003
126	T	A	-0.1764
127	T	A	-0.6803
128	G	A	-1.3409
129	E	A	-2.2314
130	T	A	-1.6866
131	G	A	-1.4991
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1314
138	V	A	0.0000
139	A	A	0.5426
140	P	A	0.9100
141	V	A	1.9830