Project name: SH3_D99K

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.951759 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: -3.4623
• Maximal score value: 1.2548
• Average score: -0.9501
• Total score value: -57.0058

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	-0.1087
87	V	A	-0.6274
88	A	A	0.0000
89	L	A	-0.3135
90	Y	A	-0.7221
91	D	A	-2.8172
92	Y	A	-2.0641
93	E	A	-2.8881
94	S	A	-2.2400
95	R	A	-2.8259
96	T	A	-2.2175
97	E	A	-2.4165
98	T	A	-1.3527
99	K	A	-1.5660	mutated: DA99K
100	L	A	0.0000
101	S	A	-1.9396
102	F	A	0.0000
103	K	A	-3.4623
104	K	A	-2.8516
105	G	A	-1.9610
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2489
110	I	A	0.4421
111	V	A	1.2548
112	N	A	-0.4264
113	N	A	-1.8280
114	T	A	-1.7453
115	E	A	-2.9612
116	G	A	-2.6341
117	D	A	-2.7249
118	W	A	-1.4579
119	W	A	-0.7580
120	L	A	0.3625
121	A	A	0.0000
122	H	A	-0.3783
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.4383
129	T	A	-0.5323
130	G	A	0.0000
131	Y	A	0.1238
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3224
135	N	A	-1.2797
136	Y	A	-0.2390
137	V	A	0.0000
138	A	A	-0.0294
139	P	A	-0.1505
140	S	A	-0.1759