Project name: SH3_S82K

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA82K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0433119 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: 1.2645
• Average score: -0.9563
• Total score value: -57.3777

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	-1.1716
82	K	A	-2.1606	mutated: SA82K
83	H	A	-1.5071
84	M	A	-0.1576
85	T	A	0.0000
86	F	A	-0.0894
87	V	A	-0.6145
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	-1.3229
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	-1.9621
106	E	A	0.0000
107	R	A	-2.0697
108	L	A	0.0000
109	Q	A	-0.4299
110	I	A	0.3004
111	V	A	1.2645
112	N	A	-0.4136
113	N	A	-1.8142
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	-0.6984
120	L	A	0.4116
121	A	A	0.0000
122	H	A	-0.3779
123	S	A	0.0000
124	L	A	-0.3011
125	T	A	-0.7970
126	T	A	-0.8887
127	G	A	-0.8291
128	Q	A	-1.4195
129	T	A	-0.4947
130	G	A	0.0000
131	Y	A	0.2188
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1443
140	S	A	-0.1759