Project name: SH3_L125K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA125K
Energy difference between WT (input) and mutated protein (by FoldX)	0.741077 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: 1.763
• Average score: -1.1528
• Total score value: -65.708

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	0.4661
86	L	A	0.3303
87	F	A	0.5774
88	V	A	0.0987
89	A	A	0.0000
90	L	A	-0.1515
91	Y	A	-0.5745
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	-2.7290
105	K	A	-2.4067
106	G	A	-1.4596
107	E	A	-1.8962
108	K	A	-1.5873
109	F	A	0.0000
110	Q	A	-1.1545
111	I	A	-0.0903
112	L	A	0.1329
113	N	A	-0.8898
114	S	A	-1.1803
115	S	A	-1.5967
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0597
121	E	A	-1.1606
122	A	A	0.0000
123	R	A	-2.4690
124	S	A	0.0000
125	K	A	-2.7789	mutated: LA125K
126	T	A	-1.8788
127	T	A	-1.6412
128	G	A	-2.2228
129	E	A	-2.7013
130	T	A	-2.0171
131	G	A	-1.5066
132	Y	A	-0.8720
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1240
138	V	A	0.0000
139	A	A	0.3998
140	P	A	0.7449
141	V	A	1.7630