Project name: SH3_T125H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA125H
Energy difference between WT (input) and mutated protein (by FoldX)	0.0498757 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: -3.5609
• Maximal score value: 1.2498
• Average score: -0.9311
• Total score value: -55.8636

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	-0.0475
87	V	A	-0.5449
88	A	A	0.0000
89	L	A	-0.3031
90	Y	A	-0.7299
91	D	A	-2.8476
92	Y	A	-2.1057
93	E	A	-2.8817
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1541
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3230
100	L	A	0.0000
101	S	A	-1.9049
102	F	A	0.0000
103	K	A	-3.5609
104	K	A	-2.8197
105	G	A	-2.0005
106	E	A	0.0000
107	R	A	-2.1615
108	L	A	0.0000
109	Q	A	-0.2112
110	I	A	0.4557
111	V	A	1.2498
112	N	A	-0.4200
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	-0.6978
120	L	A	0.4047
121	A	A	0.0000
122	H	A	-0.4867
123	S	A	0.0000
124	L	A	-0.6869
125	H	A	-1.6587	mutated: TA125H
126	T	A	-1.3153
127	G	A	-1.0793
128	Q	A	-1.5645
129	T	A	-0.4970
130	G	A	0.0000
131	Y	A	0.2196
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	-0.1303
140	S	A	-0.1471