Project name: SH3_T114K

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA114K
Energy difference between WT (input) and mutated protein (by FoldX)	0.0517592 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: -3.671
• Maximal score value: 1.2111
• Average score: -0.9654
• Total score value: -57.9247

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	-0.4510
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	-2.1620
97	E	A	-2.3606
98	T	A	-1.2589
99	D	A	-1.3526
100	L	A	0.0000
101	S	A	-1.9134
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	-2.0714
108	L	A	0.0000
109	Q	A	-0.2093
110	I	A	0.5217
111	V	A	1.2111
112	N	A	-0.5896
113	N	A	-2.4626
114	K	A	-3.2668	mutated: TA114K
115	E	A	-3.6710
116	G	A	-2.9626
117	D	A	-2.8892
118	W	A	-1.5489
119	W	A	-0.9342
120	L	A	0.2945
121	A	A	0.0000
122	H	A	-0.3573
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	-0.5074
130	G	A	0.0000
131	Y	A	0.1936
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2953
135	N	A	-1.2490
136	Y	A	-0.2043
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759