Project name: SH3_E116C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA116C
Energy difference between WT (input) and mutated protein (by FoldX)	-0.044272 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: -3.0794
• Maximal score value: 1.7964
• Average score: -0.8015
• Total score value: -45.6831

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	0.5183
86	L	A	0.7945
87	F	A	0.9250
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	-2.6008
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0794
99	D	A	-2.9875
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1811
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	-0.6420
109	F	A	0.0000
110	Q	A	-0.5139
111	I	A	-0.0521
112	L	A	0.1251
113	N	A	-0.3623
114	S	A	-0.4256
115	S	A	-0.3728
116	C	A	-0.0246	mutated: EA116C
117	G	A	-0.8782
118	D	A	-1.8635
119	W	A	-0.5251
120	W	A	-0.4739
121	E	A	-0.7207
122	A	A	0.0000
123	R	A	-1.6800
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	-1.6442
131	G	A	-1.3879
132	Y	A	-0.6646
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8785
136	N	A	-1.1453
137	Y	A	-0.1207
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964