Project name: SH3_K103C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA103C
Energy difference between WT (input) and mutated protein (by FoldX)	0.816783 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: -2.9363
• Maximal score value: 1.2498
• Average score: -0.763
• Total score value: -45.7783

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	-0.3870
88	A	A	0.0000
89	L	A	0.0377
90	Y	A	-0.1825
91	D	A	-1.8930
92	Y	A	-1.5524
93	E	A	-2.5489
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.4562
102	F	A	0.0000
103	C	A	-1.2959	mutated: KA103C
104	K	A	-1.7867
105	G	A	-1.3968
106	E	A	0.0000
107	R	A	-1.8350
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	-0.3864
123	S	A	0.0000
124	L	A	-0.2870
125	T	A	-0.5462
126	T	A	-0.6513
127	G	A	-0.8227
128	Q	A	-1.4155
129	T	A	-0.4957
130	G	A	0.0000
131	Y	A	0.2197
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