Project name: SH3_E116K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA116K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.301286 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: -3.106
• Maximal score value: 1.7964
• Average score: -0.9558
• Total score value: -54.479

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	-2.6294
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1060
99	D	A	-3.0512
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2096
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	-0.5043
111	I	A	-0.0514
112	L	A	0.1602
113	N	A	-0.8727
114	S	A	-1.1525
115	S	A	-1.5417
116	K	A	-2.4471	mutated: EA116K
117	G	A	-2.0801
118	D	A	-2.4299
119	W	A	-1.1039
120	W	A	-1.0486
121	E	A	-1.1515
122	A	A	0.0000
123	R	A	-1.7141
124	S	A	0.0000
125	L	A	0.0589
126	T	A	-0.4730
127	T	A	-0.8210
128	G	A	-1.3575
129	E	A	-2.2406
130	T	A	-1.6963
131	G	A	-1.5108
132	Y	A	-0.9003
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9289
136	N	A	-1.1524
137	Y	A	-0.1257
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964