Project name: SH3_E94S

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA94S
Energy difference between WT (input) and mutated protein (by FoldX)	-0.208255 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: -3.1079
• Maximal score value: 1.7964
• Average score: -0.8718
• Total score value: -49.6936

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	0.9242
88	V	A	0.4320
89	A	A	0.0000
90	L	A	-0.1512
91	Y	A	-0.4136
92	D	A	-2.2059
93	Y	A	-1.1648
94	S	A	-1.0585	mutated: EA94S
95	A	A	-1.8479
96	R	A	-2.6038
97	T	A	-2.4741
98	E	A	-3.1079
99	D	A	-3.0480
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.5982
103	F	A	0.0000
104	H	A	-2.5024
105	K	A	-2.4058
106	G	A	-1.4570
107	E	A	-1.3055
108	K	A	-0.6415
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
112	L	A	0.1429
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	-1.1530
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.0596
126	T	A	-0.4724
127	T	A	-0.8204
128	G	A	-1.3572
129	E	A	-2.2464
130	T	A	-1.6982
131	G	A	-1.5060
132	Y	A	-0.8734
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1249
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964