Project name: SH3_Q128C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA128C
Energy difference between WT (input) and mutated protein (by FoldX)	0.44835 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: -3.4852
• Maximal score value: 1.2498
• Average score: -0.8049
• Total score value: -48.2935

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	-2.8530
92	Y	A	-2.1058
93	E	A	-2.8819
94	S	A	0.0000
95	R	A	-2.7838
96	T	A	-2.1541
97	E	A	-2.3526
98	T	A	-1.2415
99	D	A	-1.1445
100	L	A	0.0000
101	S	A	-1.6263
102	F	A	0.0000
103	K	A	-3.4852
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0728
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4372
111	V	A	1.2498
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	0.4047
121	A	A	0.0000
122	H	A	0.0946
123	S	A	0.0000
124	L	A	0.0243
125	T	A	-0.5165
126	T	A	-0.3357
127	G	A	-0.0032
128	C	A	0.3105	mutated: QA128C
129	T	A	0.3515
130	G	A	0.0000
131	Y	A	0.2196
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