Project name: SH3_T129K

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA129K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.735448 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: 0.8465
• Average score: -1.0197
• Total score value: -61.1826

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	-0.4728
82	S	A	-0.6871
83	H	A	-0.7945
84	M	A	0.2610
85	T	A	0.0000
86	F	A	-0.1119
87	V	A	-0.6262
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	-1.5079
99	D	A	-1.6231
100	L	A	0.0000
101	S	A	-2.1385
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	-2.0989
108	L	A	0.0000
109	Q	A	-0.5536
110	I	A	0.1410
111	V	A	0.8465
112	N	A	-0.5346
113	N	A	-1.8680
114	T	A	-1.7605
115	E	A	-2.9461
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3605
119	W	A	-0.7742
120	L	A	-0.0655
121	A	A	0.0000
122	H	A	-1.2240
123	S	A	0.0000
124	L	A	-0.5582
125	T	A	-0.8168
126	T	A	-1.1439
127	G	A	-1.2564
128	Q	A	-2.2551
129	K	A	-2.2053	mutated: TA129K
130	G	A	0.0000
131	Y	A	-0.1694
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2953
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1536
140	S	A	-0.1759