Project name: SH3_E129W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA129W
Energy difference between WT (input) and mutated protein (by FoldX)	0.250713 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: -3.0997
• Maximal score value: 1.7964
• Average score: -0.7818
• Total score value: -44.5613

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	0.9254
88	V	A	0.4345
89	A	A	0.0000
90	L	A	-0.1496
91	Y	A	-0.5735
92	D	A	-2.5536
93	Y	A	-1.9227
94	E	A	-2.6341
95	A	A	-2.6152
96	R	A	-2.9811
97	T	A	-2.6577
98	E	A	-3.0997
99	D	A	-3.0405
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.8215
103	F	A	0.0000
104	H	A	-2.7196
105	K	A	-2.4027
106	G	A	-1.4532
107	E	A	-1.2945
108	K	A	-0.6349
109	F	A	0.0000
110	Q	A	-0.5074
111	I	A	-0.0568
112	L	A	0.1429
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	-1.1536
122	A	A	0.0000
123	R	A	-0.7477
124	S	A	0.0000
125	L	A	0.5561
126	T	A	0.0316
127	T	A	0.1884
128	G	A	0.1353
129	W	A	0.7863	mutated: EA129W
130	T	A	-0.2020
131	G	A	-0.8096
132	Y	A	-0.8646
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