Project name: SH3_S140W

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA140W
Energy difference between WT (input) and mutated protein (by FoldX)	-1.05736 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: -3.4283
• Maximal score value: 1.2508
• Average score: -0.809
• Total score value: -48.5422

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	-0.4513
82	S	A	-0.6832
83	H	A	-0.7923
84	M	A	0.5565
85	T	A	0.2335
86	F	A	0.4269
87	V	A	-0.2593
88	A	A	0.0000
89	L	A	-0.3532
90	Y	A	-0.7483
91	D	A	-2.8368
92	Y	A	-2.1058
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	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.4283
104	K	A	-2.7917
105	G	A	-1.8061
106	E	A	0.0000
107	R	A	-1.4282
108	L	A	0.0000
109	Q	A	-0.1777
110	I	A	0.4863
111	V	A	1.2508
112	N	A	-0.4196
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	0.4052
121	A	A	0.0000
122	H	A	-0.3123
123	S	A	0.0000
124	L	A	-0.1252
125	T	A	-0.6167
126	T	A	-0.8108
127	G	A	-0.8153
128	Q	A	-1.4110
129	T	A	-0.4939
130	G	A	0.0000
131	Y	A	0.2197
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2488
136	Y	A	-0.2432
137	V	A	0.0000
138	A	A	0.2428
139	P	A	0.5155
140	W	A	1.2212	mutated: SA140W