Project name: SH3_Y91K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA91K
Energy difference between WT (input) and mutated protein (by FoldX)	0.336162 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: -3.8074
• Maximal score value: 1.7838
• Average score: -1.1276
• Total score value: -64.2705

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	0.5254
86	L	A	0.8108
87	F	A	0.9203
88	V	A	0.0763
89	A	A	0.0000
90	L	A	-1.3098
91	K	A	-3.1363	mutated: YA91K
92	D	A	-3.8074
93	Y	A	-2.5827
94	E	A	-2.9081
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-3.3755
105	K	A	-3.5242
106	G	A	-1.9578
107	E	A	-1.6398
108	K	A	-0.6517
109	F	A	0.0000
110	Q	A	-0.4991
111	I	A	-0.0519
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1795
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4446
119	W	A	-1.1021
120	W	A	-1.0558
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7014
124	S	A	0.0000
125	L	A	0.1037
126	T	A	-0.4501
127	T	A	-0.8069
128	G	A	-1.3409
129	E	A	-2.2315
130	T	A	-1.6868
131	G	A	-1.4992
132	Y	A	-0.8674
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9186
136	N	A	-1.3934
137	Y	A	-0.7452
138	V	A	0.0000
139	A	A	0.4243
140	P	A	0.7647
141	V	A	1.7838