Project name: SH3_T129Q

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA129Q
Energy difference between WT (input) and mutated protein (by FoldX)	0.0386084 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: -3.4838
• Maximal score value: 1.0017
• Average score: -0.9706
• Total score value: -58.2351

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
81	G	A	-0.4654
82	S	A	-0.6871
83	H	A	-0.7945
84	M	A	0.2610
85	T	A	0.0000
86	F	A	-0.1119
87	V	A	-0.6262
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1549
97	E	A	-2.3535
98	T	A	-1.4283
99	D	A	-1.5345
100	L	A	0.0000
101	S	A	-2.0672
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0586
108	L	A	0.0000
109	Q	A	-0.4261
110	I	A	0.2516
111	V	A	1.0017
112	N	A	-0.4724
113	N	A	-1.8414
114	T	A	-1.7456
115	E	A	-2.9404
116	G	A	-2.6068
117	D	A	-2.6853
118	W	A	-1.3554
119	W	A	-0.7408
120	L	A	0.0947
121	A	A	0.0000
122	H	A	-0.8789
123	S	A	0.0000
124	L	A	-0.3631
125	T	A	-0.7464
126	T	A	-1.0100
127	G	A	-1.0420
128	Q	A	-1.9461
129	Q	A	-1.6375	mutated: TA129Q
130	G	A	0.0000
131	Y	A	-0.0468
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2937
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1536
140	S	A	-0.1759