Project name: SH3_Q128D

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA128D
Energy difference between WT (input) and mutated protein (by FoldX)	0.268053 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: -3.484
• Maximal score value: 1.2521
• Average score: -0.9246
• Total score value: -55.4778

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	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8502
92	Y	A	-2.1008
93	E	A	-2.8755
94	S	A	0.0000
95	R	A	-2.7815
96	T	A	-2.1523
97	E	A	-2.3526
98	T	A	-1.2369
99	D	A	-1.3702
100	L	A	0.0000
101	S	A	-1.9734
102	F	A	0.0000
103	K	A	-3.4840
104	K	A	-2.8616
105	G	A	-1.9623
106	E	A	0.0000
107	R	A	-2.0756
108	L	A	0.0000
109	Q	A	-0.2470
110	I	A	0.4391
111	V	A	1.2521
112	N	A	-0.4200
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6978
120	L	A	0.4083
121	A	A	0.0000
122	H	A	-0.5355
123	S	A	0.0000
124	L	A	-0.3937
125	T	A	-0.8882
126	T	A	-1.0905
127	G	A	-1.1171
128	D	A	-1.9528	mutated: QA128D
129	T	A	-0.7450
130	G	A	0.0000
131	Y	A	0.2254
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759