Project name: SH3_S101F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA101F
Energy difference between WT (input) and mutated protein (by FoldX)	0.144257 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: -3.0695
• Maximal score value: 1.2498
• Average score: -0.7561
• Total score value: -45.3657

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	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3131
90	Y	A	-0.7380
91	D	A	-2.5017
92	Y	A	-1.4588
93	E	A	-2.0667
94	S	A	0.0000
95	R	A	-2.4804
96	T	A	-1.9162
97	E	A	-2.3464
98	T	A	-1.0127
99	D	A	-0.7671
100	L	A	0.0000
101	F	A	0.2140	mutated: SA101F
102	F	A	0.0000
103	K	A	-3.0695
104	K	A	-2.8624
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0708
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4372
111	V	A	1.2498
112	N	A	-0.4200
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	-1.3398
119	W	A	-0.6953
120	L	A	0.4081
121	A	A	0.0000
122	H	A	-0.2375
123	S	A	0.0000
124	L	A	-0.1827
125	T	A	-0.6947
126	T	A	-0.4844
127	G	A	-0.5586
128	Q	A	-0.5625
129	T	A	0.0577
130	G	A	0.0000
131	Y	A	0.5054
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	-0.1505
140	S	A	-0.1759