Project name: SH3_R107F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA107F
Energy difference between WT (input) and mutated protein (by FoldX)	0.436479 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: -3.1603
• Maximal score value: 1.2212
• Average score: -0.7136
• Total score value: -42.8139

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	-0.4621
82	S	A	-0.6977
83	H	A	-0.8032
84	M	A	0.2434
85	T	A	0.4527
86	F	A	0.6809
87	V	A	0.3403
88	A	A	0.0000
89	L	A	-0.3473
90	Y	A	-0.7528
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	-2.1540
97	E	A	-2.3526
98	T	A	-1.2408
99	D	A	-1.3222
100	L	A	0.0000
101	S	A	-1.9031
102	F	A	0.0000
103	K	A	-3.1603
104	K	A	-2.4892
105	G	A	-1.2474
106	E	A	0.0000
107	F	A	0.9603	mutated: RA107F
108	L	A	0.0000
109	Q	A	0.3138
110	I	A	0.6974
111	V	A	1.2212
112	N	A	-0.4325
113	N	A	-1.8138
114	T	A	-1.7326
115	E	A	-2.9361
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3421
119	W	A	-0.7000
120	L	A	0.3890
121	A	A	0.0000
122	H	A	0.0314
123	S	A	0.0000
124	L	A	0.7519
125	T	A	0.1949
126	T	A	-0.4267
127	G	A	-0.7700
128	Q	A	-1.3906
129	T	A	-0.4962
130	G	A	0.0000
131	Y	A	0.2169
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2855
135	N	A	-1.2485
136	Y	A	-0.2237
137	V	A	0.0000
138	A	A	-0.0650
139	P	A	0.1399
140	S	A	0.2645