Project name: SH3_T96Q

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA96Q
Energy difference between WT (input) and mutated protein (by FoldX)	-0.503828 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: -3.4851
• Maximal score value: 1.2498
• Average score: -0.9428
• Total score value: -56.5661

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
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3131
90	Y	A	-0.7380
91	D	A	-2.8553
92	Y	A	-2.0947
93	E	A	-3.0010
94	S	A	0.0000
95	R	A	-3.3063
96	Q	A	-3.2377	mutated: TA96Q
97	E	A	-2.8589
98	T	A	-1.5207
99	D	A	-1.5281
100	L	A	0.0000
101	S	A	-1.9996
102	F	A	0.0000
103	K	A	-3.4851
104	K	A	-2.8624
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4372
111	V	A	1.2498
112	N	A	-0.4224
113	N	A	-1.8179
114	T	A	-1.7353
115	E	A	-2.9413
116	G	A	-2.6136
117	D	A	-2.6933
118	W	A	-1.3437
119	W	A	-0.6906
120	L	A	0.4230
121	A	A	0.0000
122	H	A	-0.3840
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.3972
129	T	A	-0.4698
130	G	A	0.0000
131	Y	A	0.1527
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2915
135	N	A	-1.2510
136	Y	A	-0.2066
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759