Project name: SH3_L112K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA112K
Energy difference between WT (input) and mutated protein (by FoldX)	0.923251 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: -1.0688
• Total score value: -60.919

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	0.4985
86	L	A	0.7802
87	F	A	0.9006
88	V	A	0.4178
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	-3.0323
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2057
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3090
108	K	A	-0.6334
109	F	A	0.0000
110	Q	A	-1.0107
111	I	A	-0.9898
112	K	A	-1.7864	mutated: LA112K
113	N	A	-1.8292
114	S	A	-1.6029
115	S	A	-1.8216
116	E	A	-2.5471
117	G	A	-2.1244
118	D	A	-2.4340
119	W	A	-1.0809
120	W	A	-1.3942
121	E	A	-1.6785
122	A	A	0.0000
123	R	A	-1.9073
124	S	A	0.0000
125	L	A	0.0893
126	T	A	-0.4428
127	T	A	-0.7822
128	G	A	-1.2918
129	E	A	-2.1669
130	T	A	-1.8441
131	G	A	-1.6414
132	Y	A	-1.0144
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9080
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7655
141	V	A	1.7964