Project name: SH3_S101W

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA101W
Energy difference between WT (input) and mutated protein (by FoldX)	0.500001 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: -3.2368
• Maximal score value: 1.2498
• Average score: -0.7995
• Total score value: -47.9705

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	-0.3128
90	Y	A	-0.7373
91	D	A	-2.6443
92	Y	A	-1.7205
93	E	A	-2.3967
94	S	A	0.0000
95	R	A	-2.6020
96	T	A	-2.0102
97	E	A	-2.3464
98	T	A	-1.1014
99	D	A	-0.9612
100	L	A	0.0000
101	W	A	-0.6080	mutated: SA101W
102	F	A	0.0000
103	K	A	-3.2368
104	K	A	-2.8620
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0696
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4372
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	-1.3398
119	W	A	-0.6953
120	L	A	0.4081
121	A	A	0.0000
122	H	A	-0.2323
123	S	A	0.0000
124	L	A	-0.1774
125	T	A	-0.6881
126	T	A	-0.5597
127	G	A	-0.5474
128	Q	A	-0.6779
129	T	A	-0.0532
130	G	A	0.0000
131	Y	A	0.3929
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2043
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759