Project name: SH3_R107K

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA107K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.168191 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: -3.4164
• Maximal score value: 1.2246
• Average score: -0.8748
• Total score value: -52.4874

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	-0.4606
82	S	A	-0.6956
83	H	A	-0.8013
84	M	A	0.2480
85	T	A	-0.1439
86	F	A	0.0485
87	V	A	-0.4123
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	-2.1540
97	E	A	-2.3526
98	T	A	-1.2408
99	D	A	-1.3223
100	L	A	0.0000
101	S	A	-1.9031
102	F	A	0.0000
103	K	A	-3.4164
104	K	A	-2.7822
105	G	A	-1.8112
106	E	A	0.0000
107	K	A	-1.5244	mutated: RA107K
108	L	A	0.0000
109	Q	A	-0.2355
110	I	A	0.4555
111	V	A	1.2246
112	N	A	-0.4310
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	-0.6994
120	L	A	0.3912
121	A	A	0.0000
122	H	A	-0.3798
123	S	A	0.0000
124	L	A	-0.2565
125	T	A	-0.6678
126	T	A	-0.8362
127	G	A	-0.8575
128	Q	A	-1.4374
129	T	A	-0.5264
130	G	A	0.0000
131	Y	A	0.2176
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2855
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0223
139	P	A	-0.0928
140	S	A	-0.0814