Project name: SH3_R96K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA96K
Energy difference between WT (input) and mutated protein (by FoldX)	0.342122 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: -3.0708
• Maximal score value: 1.7837
• Average score: -0.9518
• Total score value: -54.2498

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	0.5254
86	L	A	0.8108
87	F	A	0.9045
88	V	A	0.3668
89	A	A	0.0000
90	L	A	-0.1733
91	Y	A	-0.5820
92	D	A	-2.5538
93	Y	A	-1.9004
94	E	A	-2.6026
95	A	A	-2.5494
96	K	A	-2.8371	mutated: RA96K
97	T	A	-2.5866
98	E	A	-3.0708
99	D	A	-3.0177
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1786
103	F	A	0.0000
104	H	A	-2.7357
105	K	A	-2.4208
106	G	A	-1.4858
107	E	A	-1.3292
108	K	A	-0.6657
109	F	A	0.0000
110	Q	A	-0.4991
111	I	A	-0.0519
112	L	A	0.1429
113	N	A	-0.8846
114	S	A	-1.1745
115	S	A	-1.5932
116	E	A	-2.5554
117	G	A	-2.1272
118	D	A	-2.4331
119	W	A	-1.0796
120	W	A	-1.0441
121	E	A	-1.1476
122	A	A	0.0000
123	R	A	-1.7014
124	S	A	0.0000
125	L	A	0.1032
126	T	A	-0.4506
127	T	A	-0.8072
128	G	A	-1.3409
129	E	A	-2.2316
130	T	A	-1.6868
131	G	A	-1.4965
132	Y	A	-0.8604
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9131
136	N	A	-1.1476
137	Y	A	-0.1313
138	V	A	0.0000
139	A	A	0.3954
140	P	A	0.7647
141	V	A	1.7837