Project name: SH3_E129I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA129I
Energy difference between WT (input) and mutated protein (by FoldX)	0.741036 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: -3.1027
• Maximal score value: 1.7964
• Average score: -0.7379
• Total score value: -42.0584

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	0.5173
86	L	A	0.7932
87	F	A	0.9248
88	V	A	0.4335
89	A	A	0.0000
90	L	A	-0.1501
91	Y	A	-0.5739
92	D	A	-2.5587
93	Y	A	-1.9310
94	E	A	-2.6446
95	A	A	-2.6254
96	R	A	-2.9850
97	T	A	-2.6607
98	E	A	-3.1027
99	D	A	-3.0424
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.7483
103	F	A	0.0000
104	H	A	-2.7258
105	K	A	-2.4038
106	G	A	-1.4548
107	E	A	-1.3010
108	K	A	-0.6393
109	F	A	0.0000
110	Q	A	-0.5083
111	I	A	-0.0561
112	L	A	0.1438
113	N	A	-0.8883
114	S	A	-1.1799
115	S	A	-1.5966
116	E	A	-2.5603
117	G	A	-2.1347
118	D	A	-2.4456
119	W	A	-1.1053
120	W	A	-1.0569
121	E	A	-1.1521
122	A	A	0.0000
123	R	A	-0.4908
124	S	A	0.0000
125	L	A	0.6760
126	T	A	0.1466
127	T	A	0.4213
128	G	A	0.5100
129	I	A	1.5958	mutated: EA129I
130	T	A	0.2008
131	G	A	-0.6237
132	Y	A	-0.8665
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9214
136	N	A	-1.1508
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964