Project name: SH3_T126S

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126S
Energy difference between WT (input) and mutated protein (by FoldX)	0.0377302 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: 1.793
• Average score: -0.9713
• Total score value: -55.3661

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	0.7888
87	F	A	0.9133
88	V	A	0.4136
89	A	A	0.0000
90	L	A	-0.1577
91	Y	A	-0.5786
92	D	A	-2.5639
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7547
105	K	A	-2.4181
106	G	A	-1.4925
107	E	A	-1.3811
108	K	A	-0.7073
109	F	A	0.0000
110	Q	A	-0.5123
111	I	A	-0.0591
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	-1.7372
124	S	A	0.0000
125	L	A	-0.0185
126	S	A	-0.6240	mutated: TA126S
127	T	A	-0.8930
128	G	A	-1.3936
129	E	A	-2.2621
130	T	A	-1.6920
131	G	A	-1.4992
132	Y	A	-0.8673
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	0.4134
140	P	A	0.7731
141	V	A	1.7930