Project name: SH3_T126Y

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126Y
Energy difference between WT (input) and mutated protein (by FoldX)	-1.22842 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: -3.1042
• Maximal score value: 1.8524
• Average score: -0.8288
• Total score value: -47.2393

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	0.5159
86	L	A	0.8233
87	F	A	1.0368
88	V	A	0.6536
89	A	A	0.0000
90	L	A	-0.0278
91	Y	A	-0.4911
92	D	A	-2.4876
93	Y	A	-1.9353
94	E	A	-2.6500
95	A	A	-2.6306
96	R	A	-2.9870
97	T	A	-2.6622
98	E	A	-3.1042
99	D	A	-3.0446
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2177
103	F	A	0.0000
104	H	A	-2.4197
105	K	A	-2.1711
106	G	A	-0.8749
107	E	A	0.0000
108	K	A	-0.0084
109	F	A	0.0000
110	Q	A	-0.4891
111	I	A	-0.0388
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	-1.5125
124	S	A	0.0000
125	L	A	0.7766
126	Y	A	0.9990	mutated: TA126Y
127	T	A	-0.1299
128	G	A	-1.0066
129	E	A	-2.0296
130	T	A	-1.7018
131	G	A	-1.5008
132	Y	A	-0.8688
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.4636
140	P	A	0.7954
141	V	A	1.8524