Project name: SH3_E129S

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA129S
Energy difference between WT (input) and mutated protein (by FoldX)	0.517704 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: -3.0691
• Maximal score value: 1.7964
• Average score: -0.8768
• Total score value: -49.9783

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	0.9245
88	V	A	0.4328
89	A	A	0.0000
90	L	A	-0.1504
91	Y	A	-0.5742
92	D	A	-2.5595
93	Y	A	-1.9050
94	E	A	-2.6131
95	A	A	-2.5716
96	R	A	-2.9597
97	T	A	-2.6343
98	E	A	-3.0691
99	D	A	-3.0039
100	D	A	0.0000
101	L	A	-1.5134
102	S	A	-1.9212
103	F	A	0.0000
104	H	A	-2.7271
105	K	A	-2.4045
106	G	A	-1.4559
107	E	A	-1.3032
108	K	A	-0.6404
109	F	A	0.0000
110	Q	A	-0.5091
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	-1.1326
122	A	A	0.0000
123	R	A	-1.1414
124	S	A	0.0000
125	L	A	0.3383
126	T	A	-0.1923
127	T	A	-0.2589
128	G	A	-0.5129
129	S	A	-0.4757	mutated: EA129S
130	T	A	-0.8027
131	G	A	-1.0443
132	Y	A	-0.8176
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