Project name: SH3_V111E

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA111E
Energy difference between WT (input) and mutated protein (by FoldX)	0.0305537 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: 0.2875
• Average score: -1.0997
• Total score value: -65.9799

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	-0.8788
82	S	A	-0.6665
83	H	A	-0.7797
84	M	A	0.2875
85	T	A	0.0000
86	F	A	-0.0780
87	V	A	-0.6087
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	-1.2498
99	D	A	-1.3396
100	L	A	0.0000
101	S	A	-1.9105
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	-2.0463
108	L	A	0.0000
109	Q	A	-1.0948
110	I	A	-1.2039
111	E	A	-2.2263	mutated: VA111E
112	N	A	-1.9957
113	N	A	-2.5625
114	T	A	-2.0989
115	E	A	-2.9044
116	G	A	-2.5932
117	D	A	-2.6907
118	W	A	-1.3284
119	W	A	-1.3526
120	L	A	-0.6909
121	A	A	0.0000
122	H	A	-1.1437
123	S	A	0.0000
124	L	A	-0.2513
125	T	A	-0.7774
126	T	A	-0.8740
127	G	A	-0.8104
128	Q	A	-1.4025
129	T	A	-0.9151
130	G	A	0.0000
131	Y	A	-0.2159
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2880
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1396
140	S	A	-0.1759