Project name: SH3_Q110M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA110M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.744624 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: 1.7875
• Average score: -0.8871
• Total score value: -50.5652

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	0.7710
86	L	A	1.1834
87	F	A	1.1912
88	V	A	0.5518
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	-1.3823
108	K	A	-0.4991
109	F	A	0.0000
110	M	A	0.7123	mutated: QA110M
111	I	A	0.6299
112	L	A	0.5821
113	N	A	-0.6754
114	S	A	-1.1482
115	S	A	-1.5810
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-0.9040
121	E	A	-0.9468
122	A	A	0.0000
123	R	A	-1.4138
124	S	A	0.0000
125	L	A	-0.0362
126	T	A	-0.6552
127	T	A	-0.9310
128	G	A	-1.3386
129	E	A	-2.3139
130	T	A	-1.5859
131	G	A	-1.4964
132	Y	A	-0.8599
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	0.4114
140	P	A	0.8986
141	V	A	1.7875