Project name: SH3_T126W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126W
Energy difference between WT (input) and mutated protein (by FoldX)	-1.06476 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: 1.8331
• Average score: -0.8434
• Total score value: -48.0753

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	0.7944
87	F	A	0.9971
88	V	A	0.6023
89	A	A	0.0000
90	L	A	-0.0413
91	Y	A	-0.4843
92	D	A	-2.4622
93	Y	A	-1.9143
94	E	A	-2.6349
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	-2.1919
103	F	A	0.0000
104	H	A	-2.3856
105	K	A	-2.1747
106	G	A	-0.9432
107	E	A	0.0000
108	K	A	-0.1490
109	F	A	0.0000
110	Q	A	-0.5202
111	I	A	-0.0485
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	-1.5587
124	S	A	0.0000
125	L	A	0.6260
126	W	A	0.8242	mutated: TA126W
127	T	A	-0.2178
128	G	A	-1.0587
129	E	A	-2.0582
130	T	A	-1.7069
131	G	A	-1.4991
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1508
137	Y	A	-0.1251
138	V	A	0.0000
139	A	A	0.4482
140	P	A	0.7849
141	V	A	1.8331