Project name: SH3_K108R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA108R
Energy difference between WT (input) and mutated protein (by FoldX)	0.291973 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: 1.6964
• Average score: -0.9975
• Total score value: -56.8576

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	0.4718
86	L	A	0.6060
87	F	A	0.7482
88	V	A	0.2226
89	A	A	0.0000
90	L	A	-0.1981
91	Y	A	-0.5770
92	D	A	-2.5599
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	-2.7797
105	K	A	-2.4656
106	G	A	-1.5680
107	E	A	-1.5004
108	R	A	-1.0633	mutated: KA108R
109	F	A	0.0000
110	Q	A	-0.6200
111	I	A	-0.1204
112	L	A	0.1430
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	-1.1529
122	A	A	0.0000
123	R	A	-1.7730
124	S	A	0.0000
125	L	A	-0.0374
126	T	A	-0.5389
127	T	A	-0.8484
128	G	A	-1.3427
129	E	A	-2.2324
130	T	A	-1.6873
131	G	A	-1.4991
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	-0.1271
138	V	A	0.0000
139	A	A	0.3495
140	P	A	0.6958
141	V	A	1.6964