Project name: SH3_D118K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA118K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.281798 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: -3.1028
• Maximal score value: 1.7964
• Average score: -0.9725
• Total score value: -55.4338

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	0.9233
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	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
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	-0.5088
111	I	A	-0.0567
112	L	A	0.1429
113	N	A	-0.9164
114	S	A	-1.2189
115	S	A	-1.6298
116	E	A	-2.6146
117	G	A	-2.2224
118	K	A	-2.4847	mutated: DA118K
119	W	A	-1.2687
120	W	A	-1.1375
121	E	A	-1.1937
122	A	A	0.0000
123	R	A	-1.7149
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	-1.6927
131	G	A	-1.5207
132	Y	A	-0.9128
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9656
136	N	A	-1.1637
137	Y	A	-0.1456
138	V	A	0.0000
139	A	A	0.4152
140	P	A	0.7757
141	V	A	1.7964