Project name: SH3_R96F

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA96F
Energy difference between WT (input) and mutated protein (by FoldX)	0.952961 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: -2.7377
• Maximal score value: 1.7964
• Average score: -0.8009
• Total score value: -45.6517

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	0.5173
86	L	A	0.7932
87	F	A	0.9234
88	V	A	0.4306
89	A	A	0.0000
90	L	A	-0.1557
91	Y	A	-0.5839
92	D	A	-2.5772
93	Y	A	-1.5532
94	E	A	-1.7786
95	A	A	-0.8246
96	F	A	0.7509	mutated: RA96F
97	T	A	-0.8850
98	E	A	-2.3757
99	D	A	-2.4994
100	D	A	-1.3405
101	L	A	0.0000
102	S	A	-1.6761
103	F	A	0.0000
104	H	A	-2.7377
105	K	A	-2.4126
106	G	A	-1.4592
107	E	A	-1.3102
108	K	A	-0.6438
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
112	L	A	0.1429
113	N	A	-0.8759
114	S	A	-1.1615
115	S	A	-1.5853
116	E	A	-2.5435
117	G	A	-2.1091
118	D	A	-2.4031
119	W	A	-1.0453
120	W	A	-1.0357
121	E	A	-1.1604
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.0587
126	T	A	-0.4736
127	T	A	-0.8209
128	G	A	-1.3572
129	E	A	-2.2402
130	T	A	-1.7200
131	G	A	-1.5551
132	Y	A	-0.9229
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8932
136	N	A	-1.1377
137	Y	A	-0.1212
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964