Project name: SH3_E116W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA116W
Energy difference between WT (input) and mutated protein (by FoldX)	-0.58756 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: -3.0992
• Maximal score value: 1.7964
• Average score: -0.7983
• Total score value: -45.504

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	0.9238
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6220
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0992
99	D	A	-3.0314
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2021
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5193
111	I	A	-0.0819
112	L	A	0.0941
113	N	A	-0.3164
114	S	A	-0.3406
115	S	A	-0.1691
116	W	A	0.4062	mutated: EA116W
117	G	A	-0.6833
118	D	A	-1.8444
119	W	A	-0.6158
120	W	A	-0.5066
121	E	A	-0.7649
122	A	A	0.0000
123	R	A	-1.7037
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3573
129	E	A	-2.2402
130	T	A	-1.6786
131	G	A	-1.4844
132	Y	A	-0.8693
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9421
136	N	A	-1.1650
137	Y	A	-0.1346
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964