Project name: SH3_Q109C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA109C
Energy difference between WT (input) and mutated protein (by FoldX)	0.230725 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: -3.4838
• Maximal score value: 1.4818
• Average score: -0.8297
• Total score value: -49.7822

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	-0.3481
82	S	A	-0.5447
83	H	A	-0.6923
84	M	A	0.4442
85	T	A	0.0000
86	F	A	0.1225
87	V	A	-0.5051
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2408
99	D	A	-1.3222
100	L	A	0.0000
101	S	A	-1.9031
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-1.8386
108	L	A	0.0000
109	C	A	0.6576	mutated: QA109C
110	I	A	0.8604
111	V	A	1.4818
112	N	A	-0.3182
113	N	A	-1.8138
114	T	A	-1.7326
115	E	A	-2.9361
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3421
119	W	A	-0.7025
120	L	A	0.5205
121	A	A	0.0000
122	H	A	-0.0762
123	S	A	0.0000
124	L	A	0.0655
125	T	A	-0.7026
126	T	A	-0.8277
127	G	A	-0.7574
128	Q	A	-1.3874
129	T	A	-0.3855
130	G	A	0.0000
131	Y	A	0.2136
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2855
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.0566
140	S	A	-0.1759