Project name: SH3_N113K

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.372289 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: -3.4838
• Maximal score value: 1.1406
• Average score: -0.9368
• Total score value: -56.2109

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	-0.4521
82	S	A	-0.6835
83	H	A	-0.7912
84	M	A	0.2209
85	T	A	0.0000
86	F	A	0.0000
87	V	A	-0.7219
88	A	A	0.0000
89	L	A	-0.3370
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	-1.2414
99	D	A	-1.3267
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9867
106	E	A	0.0000
107	R	A	-2.1303
108	L	A	0.0000
109	Q	A	-0.3051
110	I	A	0.2853
111	V	A	1.1406
112	N	A	-0.6407
113	K	A	-2.2560	mutated: NA113K
114	T	A	-1.9482
115	E	A	-3.0885
116	G	A	-2.7193
117	D	A	-2.7542
118	W	A	-1.4447
119	W	A	-0.8955
120	L	A	0.2837
121	A	A	0.0000
122	H	A	-0.3898
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4959
130	G	A	0.0000
131	Y	A	0.1609
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3544
135	N	A	-1.2520
136	Y	A	-0.2258
137	V	A	0.0000
138	A	A	-0.0883
139	P	A	-0.2412
140	S	A	-0.2496