Project name: SH3_N113E

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113E
Energy difference between WT (input) and mutated protein (by FoldX)	0.112238 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: 1.1267
• Average score: -0.9343
• Total score value: -56.0555

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	-0.4494
82	S	A	-0.6812
83	H	A	-0.7912
84	M	A	0.2687
85	T	A	0.0000
86	F	A	-0.1018
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	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3249
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	-1.9621
106	E	A	0.0000
107	R	A	-2.0701
108	L	A	0.0000
109	Q	A	-0.2428
110	I	A	0.3240
111	V	A	1.1267
112	N	A	-0.6880
113	E	A	-2.3650	mutated: NA113E
114	T	A	-2.0038
115	E	A	-3.1251
116	G	A	-2.7452
117	D	A	-2.7680
118	W	A	-1.4609
119	W	A	-0.9200
120	L	A	0.2688
121	A	A	0.0000
122	H	A	-0.3827
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	-0.4936
130	G	A	0.0000
131	Y	A	0.1558
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3644
135	N	A	-1.2504
136	Y	A	-0.2040
137	V	A	0.0000
138	A	A	-0.0213
139	P	A	-0.1492
140	S	A	-0.1759