Project name: SH3_Y91Q

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA91Q
Energy difference between WT (input) and mutated protein (by FoldX)	0.122491 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: -3.6249
• Maximal score value: 1.7964
• Average score: -1.0959
• Total score value: -62.4642

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	0.5173
86	L	A	0.7932
87	F	A	0.9542
88	V	A	0.2119
89	A	A	0.0000
90	L	A	-1.0004
91	Q	A	-2.7442	mutated: YA91Q
92	D	A	-3.6249
93	Y	A	-2.4858
94	E	A	-2.8761
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	-3.2644
105	K	A	-3.3227
106	G	A	-1.8358
107	E	A	-1.5603
108	K	A	-0.6157
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0569
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	-1.1031
120	W	A	-1.0558
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.0592
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	-0.8674
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9216
136	N	A	-1.3460
137	Y	A	-0.6198
138	V	A	0.0000
139	A	A	0.4726
140	P	A	0.7756
141	V	A	1.7964