Project name: SH3_V111C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA111C
Energy difference between WT (input) and mutated protein (by FoldX)	0.704888 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: 0.2668
• Average score: -0.9535
• Total score value: -57.2107

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	-0.5881
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	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1605
97	E	A	-2.3591
98	T	A	-1.2482
99	D	A	-1.3376
100	L	A	0.0000
101	S	A	-1.9114
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	-2.0713
108	L	A	0.0000
109	Q	A	-0.5274
110	I	A	-0.0532
111	C	A	0.2189	mutated: VA111C
112	N	A	-0.7973
113	N	A	-1.9887
114	T	A	-1.8094
115	E	A	-2.9020
116	G	A	-2.5932
117	D	A	-2.6907
118	W	A	-1.3239
119	W	A	-0.8589
120	L	A	0.1299
121	A	A	0.0000
122	H	A	-0.6217
123	S	A	0.0000
124	L	A	-0.2792
125	T	A	-0.7802
126	T	A	-0.8777
127	G	A	-0.8165
128	Q	A	-1.4112
129	T	A	-0.6315
130	G	A	0.0000
131	Y	A	0.0789
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2856
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