Project name: SH3_T85Q

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA85Q
Energy difference between WT (input) and mutated protein (by FoldX)	0.157037 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: 1.5529
• Average score: -1.0299
• Total score value: -58.7029

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	Q	A	-0.6232	mutated: TA85Q
86	L	A	0.1751
87	F	A	0.6028
88	V	A	0.2799
89	A	A	0.0000
90	L	A	-0.1541
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	-2.7282
105	K	A	-2.4059
106	G	A	-1.4611
107	E	A	-1.3591
108	K	A	-0.7370
109	F	A	0.0000
110	Q	A	-0.8326
111	I	A	-0.2376
112	L	A	0.2174
113	N	A	-0.8484
114	S	A	-1.1574
115	S	A	-1.5858
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0438
121	E	A	-1.1338
122	A	A	0.0000
123	R	A	-1.7972
124	S	A	0.0000
125	L	A	-0.1915
126	T	A	-0.5900
127	T	A	-0.8907
128	G	A	-1.4402
129	E	A	-2.2846
130	T	A	-1.7225
131	G	A	-1.4939
132	Y	A	-0.8601
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9226
136	N	A	-1.1504
137	Y	A	-0.1272
138	V	A	0.0000
139	A	A	0.3080
140	P	A	0.5164
141	V	A	1.5529