Project name: SH3_T126E

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126E
Energy difference between WT (input) and mutated protein (by FoldX)	-0.50579 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: 1.7997
• Average score: -1.0626
• Total score value: -60.567

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	0.5161
86	L	A	0.7829
87	F	A	0.9221
88	V	A	0.4361
89	A	A	0.0000
90	L	A	-0.1453
91	Y	A	-0.5720
92	D	A	-2.5568
93	Y	A	-1.9313
94	E	A	-2.6450
95	A	A	-2.6257
96	R	A	-2.9851
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0433
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2054
103	F	A	0.0000
104	H	A	-2.9019
105	K	A	-2.3957
106	G	A	-1.6222
107	E	A	-1.7247
108	K	A	-1.0291
109	F	A	0.0000
110	Q	A	-0.5281
111	I	A	-0.0547
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	-1.9872
124	S	A	0.0000
125	L	A	-0.9087
126	E	A	-2.2661	mutated: TA126E
127	T	A	-1.6913
128	G	A	-1.8610
129	E	A	-2.5396
130	T	A	-1.7046
131	G	A	-1.4990
132	Y	A	-0.8672
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4183
140	P	A	0.7779
141	V	A	1.7997