Project name: SH3_W119K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA119K
Energy difference between WT (input) and mutated protein (by FoldX)	0.814215 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: -3.3318
• Maximal score value: 1.7964
• Average score: -1.1205
• Total score value: -63.8666

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	0.9232
88	V	A	0.4303
89	A	A	0.0000
90	L	A	-0.1555
91	Y	A	-0.5828
92	D	A	-2.5744
93	Y	A	-1.9641
94	E	A	-2.6592
95	A	A	-2.6397
96	R	A	-2.9884
97	T	A	-2.6608
98	E	A	-3.1063
99	D	A	-3.0509
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2192
103	F	A	0.0000
104	H	A	-2.7361
105	K	A	-2.4118
106	G	A	-1.4592
107	E	A	-1.3102
108	K	A	-0.6438
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0599
112	L	A	0.1399
113	N	A	-1.1470
114	S	A	-1.5626
115	S	A	-1.8284
116	E	A	-2.9073
117	G	A	-2.6634
118	D	A	-3.3318
119	K	A	-2.9149	mutated: WA119K
120	W	A	-1.9670
121	E	A	-1.5893
122	A	A	0.0000
123	R	A	-1.7193
124	S	A	0.0000
125	L	A	0.0587
126	T	A	-0.4736
127	T	A	-0.8209
128	G	A	-1.3572
129	E	A	-2.2402
130	T	A	-1.6985
131	G	A	-1.7261
132	Y	A	-1.4422
133	I	A	0.0000
134	P	A	-1.3154
135	S	A	-1.5196
136	N	A	-1.4299
137	Y	A	-0.3307
138	V	A	0.0000
139	A	A	0.4154
140	P	A	0.7757
141	V	A	1.7964