Project name: SH3_D99H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99H
Energy difference between WT (input) and mutated protein (by FoldX)	-0.500738 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: -3.4873
• Maximal score value: 1.2477
• Average score: -0.8975
• Total score value: -53.8513

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	-0.3139
90	Y	A	-0.7398
91	D	A	-2.8591
92	Y	A	-2.1102
93	E	A	-2.8773
94	S	A	0.0000
95	R	A	-2.7710
96	T	A	-2.1333
97	E	A	-2.3333
98	T	A	-1.2101
99	H	A	-1.2661	mutated: DA99H
100	L	A	0.0000
101	S	A	-1.8936
102	F	A	0.0000
103	K	A	-3.4873
104	K	A	-2.8636
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4351
111	V	A	1.2477
112	N	A	-0.4320
113	N	A	-1.8306
114	T	A	-1.7428
115	E	A	-2.9560
116	G	A	-2.6286
117	D	A	-2.7212
118	W	A	-1.4103
119	W	A	-0.7306
120	L	A	0.3924
121	A	A	0.0000
122	H	A	-0.3866
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	-1.4044
129	T	A	-0.4856
130	G	A	0.0000
131	Y	A	0.2133
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3109
135	N	A	-1.2585
136	Y	A	-0.2133
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759