Project name: SH3_E94I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA94I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.199619 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: -3.1035
• Maximal score value: 1.7978
• Average score: -0.7258
• Total score value: -41.3708

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	0.7959
87	F	A	0.9273
88	V	A	0.4362
89	A	A	0.0000
90	L	A	-0.1008
91	Y	A	-0.0712
92	D	A	-1.4503
93	Y	A	0.0444
94	I	A	1.2325	mutated: EA94I
95	A	A	-0.7139
96	R	A	-2.0652
97	T	A	-2.2057
98	E	A	-3.1035
99	D	A	-3.0440
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-0.6020
103	F	A	0.0000
104	H	A	-2.0552
105	K	A	-2.3093
106	G	A	-1.4166
107	E	A	-1.2662
108	K	A	-0.6314
109	F	A	0.0000
110	Q	A	-0.5061
111	I	A	-0.0560
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1794
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	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7128
124	S	A	0.0000
125	L	A	0.0681
126	T	A	-0.4677
127	T	A	-0.8179
128	G	A	-1.3554
129	E	A	-2.2402
130	T	A	-1.6930
131	G	A	-1.5002
132	Y	A	-0.8682
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.0896
138	V	A	0.0000
139	A	A	0.4168
140	P	A	0.7767
141	V	A	1.7978