Project name: SH3_K108I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA108I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.173155 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: 2.0567
• Average score: -0.8358
• Total score value: -47.6415

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	0.5344
86	L	A	1.1953
87	F	A	1.4154
88	V	A	1.0942
89	A	A	0.0000
90	L	A	0.0081
91	Y	A	-0.5733
92	D	A	-2.5595
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	-2.5444
105	K	A	-2.1955
106	G	A	-1.0684
107	E	A	-0.5802
108	I	A	0.8645	mutated: KA108I
109	F	A	0.0000
110	Q	A	-0.1790
111	I	A	0.1122
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	-1.4909
124	S	A	0.0000
125	L	A	0.5407
126	T	A	-0.1459
127	T	A	-0.6694
128	G	A	-1.3589
129	E	A	-2.2409
130	T	A	-1.6931
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	-0.1231
138	V	A	0.0000
139	A	A	0.5979
140	P	A	0.9699
141	V	A	2.0567