Project name: SH3_L120K

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA120K
Energy difference between WT (input) and mutated protein (by FoldX)	0.932513 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: 0.9349
• Average score: -0.9738
• Total score value: -58.4295

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	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1052
93	E	A	-2.8810
94	S	A	0.0000
95	R	A	-2.7830
96	T	A	-2.1638
97	E	A	-2.3625
98	T	A	-1.3838
99	D	A	-1.5116
100	L	A	0.0000
101	S	A	-1.9132
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0701
108	L	A	0.0000
109	Q	A	-0.3774
110	I	A	0.1767
111	V	A	0.9349
112	N	A	-0.7719
113	N	A	-2.0471
114	T	A	-1.8514
115	E	A	-3.0567
116	G	A	-2.6143
117	D	A	-2.7095
118	W	A	-1.6103
119	W	A	-1.2079
120	K	A	-0.5897	mutated: LA120K
121	A	A	0.0000
122	H	A	-0.5915
123	S	A	0.0000
124	L	A	-0.2719
125	T	A	-0.7775
126	T	A	-0.8729
127	G	A	-0.8087
128	Q	A	-1.4001
129	T	A	-0.6820
130	G	A	0.0000
131	Y	A	-0.3019
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.4227
135	N	A	-1.2527
136	Y	A	-0.2070
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759