Project name: SH3_R96W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA96W
Energy difference between WT (input) and mutated protein (by FoldX)	0.843313 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: -2.7389
• Maximal score value: 1.7964
• Average score: -0.8167
• Total score value: -46.5532

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	-0.1563
91	Y	A	-0.5851
92	D	A	-2.5795
93	Y	A	-1.6238
94	E	A	-1.9351
95	A	A	-1.1357
96	W	A	0.0413	mutated: RA96W
97	T	A	-1.1963
98	E	A	-2.4757
99	D	A	-2.5333
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.7511
103	F	A	0.0000
104	H	A	-2.7389
105	K	A	-2.4134
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	-0.9003
114	S	A	-1.1977
115	S	A	-1.6075
116	E	A	-2.5766
117	G	A	-2.1594
118	D	A	-2.4868
119	W	A	-1.1893
120	W	A	-1.0989
121	E	A	-1.1733
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	-1.6927
131	G	A	-1.5096
132	Y	A	-0.8935
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9486
136	N	A	-1.1634
137	Y	A	-0.1402
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964