Project name: SH3_Q110Q

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA110Q
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0286632 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: 1.7868
• Average score: -0.9786
• Total score value: -55.7788

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	0.4946
86	L	A	0.7086
87	F	A	0.8705
88	V	A	0.3876
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	-1.3648
108	K	A	-0.7570
109	F	A	0.0000
110	Q	A	-0.6093	mutated: QA110Q
111	I	A	-0.0313
112	L	A	0.2480
113	N	A	-0.8305
114	S	A	-1.1493
115	S	A	-1.5815
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0395
121	E	A	-1.1279
122	A	A	0.0000
123	R	A	-1.8313
124	S	A	0.0000
125	L	A	-0.2351
126	T	A	-0.6134
127	T	A	-0.9067
128	G	A	-1.4605
129	E	A	-2.3004
130	T	A	-1.7352
131	G	A	-1.4969
132	Y	A	-0.8604
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	0.4110
140	P	A	0.7618
141	V	A	1.7868