Project name: SH3_S101Q

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA101Q
Energy difference between WT (input) and mutated protein (by FoldX)	0.771917 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: -3.7119
• Maximal score value: 1.2624
• Average score: -0.9528
• Total score value: -57.1705

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	-0.4461
82	S	A	-0.6760
83	H	A	-0.7865
84	M	A	0.2752
85	T	A	0.0000
86	F	A	-0.0936
87	V	A	-0.6167
88	A	A	0.0000
89	L	A	-0.3131
90	Y	A	-0.7380
91	D	A	-3.0485
92	Y	A	-2.4654
93	E	A	-3.3287
94	S	A	0.0000
95	R	A	-2.9479
96	T	A	-2.2803
97	E	A	-2.3526
98	T	A	-1.3605
99	D	A	-1.5863
100	L	A	0.0000
101	Q	A	-3.0142	mutated: SA101Q
102	F	A	0.0000
103	K	A	-3.7119
104	K	A	-2.8624
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0632
108	L	A	0.0000
109	Q	A	-0.2064
110	I	A	0.4589
111	V	A	1.2624
112	N	A	-0.4144
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6973
120	L	A	0.4116
121	A	A	0.0000
122	H	A	-0.3659
123	S	A	0.0000
124	L	A	-0.2742
125	T	A	-0.7820
126	T	A	-0.9981
127	G	A	-0.8174
128	Q	A	-1.5891
129	T	A	-0.6485
130	G	A	0.0000
131	Y	A	0.0693
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2047
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1460
140	S	A	-0.1759