Project name: SH3_A139K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	AA139K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.74376 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: -3.1028
• Maximal score value: 1.409
• Average score: -1.0666
• Total score value: -60.7971

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	0.3666
86	L	A	0.5682
87	F	A	0.3753
88	V	A	-0.1031
89	A	A	0.0000
90	L	A	-0.5773
91	Y	A	-0.5961
92	D	A	-2.5689
93	Y	A	-1.9369
94	E	A	-2.6452
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	-2.7349
105	K	A	-2.4211
106	G	A	-1.6406
107	E	A	-1.3146
108	K	A	-0.8332
109	F	A	0.0000
110	Q	A	-0.4978
111	I	A	-0.0571
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	0.0590
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6927
131	G	A	-1.4992
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-1.2080
136	N	A	-1.4727
137	Y	A	-0.5029
138	V	A	0.0000
139	K	A	-1.2524	mutated: AA139K
140	P	A	0.0477
141	V	A	1.4090