Project name: SH3_P139E

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	PA139E
Energy difference between WT (input) and mutated protein (by FoldX)	0.930175 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: 1.2481
• Average score: -0.9756
• Total score value: -58.539

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	-0.4514
82	S	A	-0.6830
83	H	A	-0.7912
84	M	A	-0.0948
85	T	A	0.0000
86	F	A	0.0000
87	V	A	-1.1376
88	A	A	0.0000
89	L	A	-0.3363
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	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9867
106	E	A	0.0000
107	R	A	-2.3025
108	L	A	0.0000
109	Q	A	-0.4676
110	I	A	0.2321
111	V	A	1.2481
112	N	A	-0.4210
113	N	A	-1.8150
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	-0.6986
120	L	A	0.4037
121	A	A	0.0000
122	H	A	-0.3849
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4953
130	G	A	0.0000
131	Y	A	0.2193
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2855
135	N	A	-1.2478
136	Y	A	-0.2251
137	V	A	0.0000
138	A	A	-0.8496
139	E	A	-1.8039	mutated: PA139E
140	S	A	-1.0134