Project name: SH3_E94K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA94K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.471846 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: -3.1066
• Maximal score value: 1.7964
• Average score: -0.955
• Total score value: -54.4354

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	0.9242
88	V	A	0.4320
89	A	A	0.0000
90	L	A	-0.1512
91	Y	A	-0.5633
92	D	A	-2.5392
93	Y	A	-1.8857
94	K	A	-2.5396	mutated: EA94K
95	A	A	-2.5817
96	R	A	-2.9626
97	T	A	-2.6507
98	E	A	-3.1066
99	D	A	-3.0468
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1856
103	F	A	0.0000
104	H	A	-2.7160
105	K	A	-2.4058
106	G	A	-1.4570
107	E	A	-1.3055
108	K	A	-0.6415
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
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	-1.7155
124	S	A	0.0000
125	L	A	0.0596
126	T	A	-0.4724
127	T	A	-0.8204
128	G	A	-1.3572
129	E	A	-2.2432
130	T	A	-1.6954
131	G	A	-1.5033
132	Y	A	-0.8712
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1249
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964