Project name: SH3_N113W

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113W
Energy difference between WT (input) and mutated protein (by FoldX)	-0.466273 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: -3.4838
• Maximal score value: 1.4447
• Average score: -0.7478
• Total score value: -44.8673

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	-0.5049
82	S	A	-0.6928
83	H	A	-0.7912
84	M	A	0.2533
85	T	A	0.0000
86	F	A	-0.1227
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1552
97	E	A	-2.3537
98	T	A	-1.2439
99	D	A	-1.3265
100	L	A	0.0000
101	S	A	-1.9048
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0808
108	L	A	0.0000
109	Q	A	-0.3840
110	I	A	0.7368
111	V	A	1.4447
112	N	A	0.6264
113	W	A	0.5678	mutated: NA113W
114	T	A	-0.5550
115	E	A	-2.0970
116	G	A	-2.0047
117	D	A	-2.3270
118	W	A	-0.8433
119	W	A	0.1605
120	L	A	0.8674
121	A	A	0.0000
122	H	A	-0.4841
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.5495
130	G	A	0.0000
131	Y	A	0.4330
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.9579
135	N	A	-1.2480
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1600
140	S	A	-0.1759