Project name: SH3_R107W

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA107W
Energy difference between WT (input) and mutated protein (by FoldX)	0.591546 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: -3.1644
• Maximal score value: 1.2326
• Average score: -0.7253
• Total score value: -43.5152

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	-0.4580
82	S	A	-0.6922
83	H	A	-0.7996
84	M	A	0.2493
85	T	A	0.3793
86	F	A	0.5829
87	V	A	0.2020
88	A	A	0.0000
89	L	A	-0.3384
90	Y	A	-0.7399
91	D	A	-2.8342
92	Y	A	-2.1063
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	-1.2408
99	D	A	-1.3222
100	L	A	0.0000
101	S	A	-1.9031
102	F	A	0.0000
103	K	A	-3.1644
104	K	A	-2.4755
105	G	A	-1.2030
106	E	A	0.0000
107	W	A	0.6975	mutated: RA107W
108	L	A	0.0000
109	Q	A	0.2890
110	I	A	0.6869
111	V	A	1.2326
112	N	A	-0.4275
113	N	A	-1.8138
114	T	A	-1.7326
115	E	A	-2.9361
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3421
119	W	A	-0.6997
120	L	A	0.3951
121	A	A	0.0000
122	H	A	0.0179
123	S	A	0.0000
124	L	A	0.7183
125	T	A	0.1562
126	T	A	-0.4482
127	G	A	-0.7523
128	Q	A	-1.3804
129	T	A	-0.4850
130	G	A	0.0000
131	Y	A	0.2173
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2855
135	N	A	-1.2494
136	Y	A	-0.2373
137	V	A	0.0000
138	A	A	-0.0912
139	P	A	0.0898
140	S	A	0.1941