Project name: SH3_K108W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA108W
Energy difference between WT (input) and mutated protein (by FoldX)	-0.322933 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: -3.1028
• Maximal score value: 1.9835
• Average score: -0.8527
• Total score value: -48.6048

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
85	T	A	0.4715
86	L	A	1.0438
87	F	A	1.2925
88	V	A	0.9503
89	A	A	0.0000
90	L	A	-0.0107
91	Y	A	-0.5720
92	D	A	-2.5489
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.5508
105	K	A	-2.1955
106	G	A	-1.0582
107	E	A	-0.6208
108	W	A	0.7181	mutated: KA108W
109	F	A	0.0000
110	Q	A	-0.2434
111	I	A	0.0762
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.5053
124	S	A	0.0000
125	L	A	0.5334
126	T	A	-0.1371
127	T	A	-0.6655
128	G	A	-1.3428
129	E	A	-2.2325
130	T	A	-1.6875
131	G	A	-1.4992
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1381
138	V	A	0.0000
139	A	A	0.5440
140	P	A	0.8996
141	V	A	1.9835