Project name: SH3_Q110K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA110K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.693615 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: 1.7832
• Average score: -1.0154
• Total score value: -57.8758

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	0.3809
86	L	A	0.4944
87	F	A	0.7235
88	V	A	0.3041
89	A	A	0.0000
90	L	A	-0.1516
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
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	-2.7287
105	K	A	-2.4065
106	G	A	-1.4592
107	E	A	-1.3896
108	K	A	-0.9071
109	F	A	0.0000
110	K	A	-1.1263	mutated: QA110K
111	I	A	-0.2254
112	L	A	0.2502
113	N	A	-0.8281
114	S	A	-1.1204
115	S	A	-1.5663
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0646
121	E	A	-1.1525
122	A	A	0.0000
123	R	A	-1.9899
124	S	A	0.0000
125	L	A	-0.4620
126	T	A	-0.6700
127	T	A	-0.9381
128	G	A	-1.5489
129	E	A	-2.3134
130	T	A	-1.7852
131	G	A	-1.4781
132	Y	A	-0.8438
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9195
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4093
140	P	A	0.7050
141	V	A	1.7832