Project name: SH3_L125F

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA125F
Energy difference between WT (input) and mutated protein (by FoldX)	0.438287 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: 1.7601
• Average score: -0.9031
• Total score value: -51.4767

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	0.4917
86	L	A	0.8360
87	F	A	0.9888
88	V	A	0.5123
89	A	A	0.0000
90	L	A	-0.1516
91	Y	A	-0.5748
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	-2.7287
105	K	A	-2.4065
106	G	A	-1.4592
107	E	A	-1.1381
108	K	A	-0.3755
109	F	A	0.0000
110	Q	A	-0.2253
111	I	A	-0.0055
112	L	A	0.1824
113	N	A	-0.8706
114	S	A	-1.1789
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	-1.0392
121	E	A	-1.1303
122	A	A	0.0000
123	R	A	-1.4589
124	S	A	0.0000
125	F	A	0.9039	mutated: LA125F
126	T	A	-0.0613
127	T	A	-0.5799
128	G	A	-1.0859
129	E	A	-2.1037
130	T	A	-1.5787
131	G	A	-1.4962
132	Y	A	-0.8655
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9203
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.3982
140	P	A	0.7571
141	V	A	1.7601