Project name: SH3_K108M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA108M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.230436 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: 1.9726
• Average score: -0.879
• Total score value: -50.1027

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	0.4891
86	L	A	1.0040
87	F	A	1.2493
88	V	A	0.9095
89	A	A	0.0000
90	L	A	-0.0280
91	Y	A	-0.5745
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	-2.5853
105	K	A	-2.2430
106	G	A	-1.1562
107	E	A	-0.7720
108	M	A	0.4654	mutated: KA108M
109	F	A	0.0000
110	Q	A	-0.3136
111	I	A	0.0570
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	-1.5865
124	S	A	0.0000
125	L	A	0.2734
126	T	A	-0.2926
127	T	A	-0.7462
128	G	A	-1.4047
129	E	A	-2.2651
130	T	A	-1.7097
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	-0.1240
138	V	A	0.0000
139	A	A	0.5442
140	P	A	0.9024
141	V	A	1.9726