Project name: SH3_V141C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA141C
Energy difference between WT (input) and mutated protein (by FoldX)	0.775361 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: -3.1028
• Maximal score value: 0.8011
• Average score: -0.9952
• Total score value: -56.7242

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
85	T	A	0.3558
86	L	A	0.6078
87	F	A	0.6251
88	V	A	0.1562
89	A	A	0.0000
90	L	A	-0.1152
91	Y	A	-0.5354
92	D	A	-2.5201
93	Y	A	-1.9321
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.6747
105	K	A	-2.3001
106	G	A	-1.3381
107	E	A	-1.2129
108	K	A	-0.7744
109	F	A	0.0000
110	Q	A	-0.4716
111	I	A	-0.0372
112	L	A	0.1378
113	N	A	-0.8903
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0578
121	E	A	-1.1558
122	A	A	0.0000
123	R	A	-1.6888
124	S	A	0.0000
125	L	A	0.1500
126	T	A	-0.4081
127	T	A	-0.7972
128	G	A	-1.3281
129	E	A	-2.2235
130	T	A	-1.6838
131	G	A	-1.4992
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1511
137	Y	A	-0.1379
138	V	A	0.0000
139	A	A	0.1649
140	P	A	0.2843
141	C	A	0.8011	mutated: VA141C