Project name: SH3_N113K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113K
Energy difference between WT (input) and mutated protein (by FoldX)	0.385053 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: -3.0936
• Maximal score value: 1.7964
• Average score: -1.0404
• Total score value: -59.3035

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
85	T	A	0.5173
86	L	A	0.7932
87	F	A	0.9238
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6160
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0936
99	D	A	-3.0175
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1961
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.7020
111	I	A	-0.4845
112	L	A	-0.6607
113	K	A	-2.0033	mutated: NA113K
114	S	A	-1.6897
115	S	A	-1.9131
116	E	A	-2.7732
117	G	A	-2.2513
118	D	A	-2.5202
119	W	A	-1.1843
120	W	A	-1.3751
121	E	A	-1.5399
122	A	A	0.0000
123	R	A	-1.7657
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.7127
131	G	A	-1.4836
132	Y	A	-0.9278
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8944
136	N	A	-1.1473
137	Y	A	-0.1221
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964