Project name: SH3_K104R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA104R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.206185 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: -3.5613
• Maximal score value: 1.2498
• Average score: -0.9067
• Total score value: -54.4033

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	-0.1085
87	V	A	-0.6593
88	A	A	0.0000
89	L	A	-0.4007
90	Y	A	-0.8197
91	D	A	-2.9155
92	Y	A	-2.1345
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	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.9035
102	F	A	0.0000
103	K	A	-3.5613
104	R	A	-3.0202	mutated: KA104R
105	G	A	-2.0419
106	E	A	0.0000
107	R	A	-2.0900
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	-1.3426
119	W	A	-0.6978
120	L	A	0.4047
121	A	A	0.0000
122	H	A	-0.3840
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7802
126	T	A	-0.8782
127	G	A	-0.8170
128	Q	A	-1.4119
129	T	A	-0.4950
130	G	A	0.0000
131	Y	A	0.2197
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2862
135	N	A	-1.2548
136	Y	A	-0.2379
137	V	A	0.0000
138	A	A	-0.0286
139	P	A	-0.1505
140	S	A	-0.1759