Project name: SH3_D99K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99K
Energy difference between WT (input) and mutated protein (by FoldX)	-1.0204 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: -3.0655
• Maximal score value: 1.7837
• Average score: -0.9631
• Total score value: -54.8958

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	-0.1752
91	Y	A	-0.5859
92	D	A	-2.5612
93	Y	A	-1.9321
94	E	A	-2.6452
95	A	A	-2.6177
96	R	A	-2.9701
97	T	A	-2.6317
98	E	A	-3.0655
99	K	A	-2.9681	mutated: DA99K
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2032
103	F	A	0.0000
104	H	A	-2.7394
105	K	A	-2.4235
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	-0.0576
112	L	A	0.1373
113	N	A	-0.8987
114	S	A	-1.1911
115	S	A	-1.6000
116	E	A	-2.5655
117	G	A	-2.1425
118	D	A	-2.4647
119	W	A	-1.1477
120	W	A	-1.0878
121	E	A	-1.1712
122	A	A	0.0000
123	R	A	-1.7085
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	-2.2315
130	T	A	-1.6858
131	G	A	-1.5015
132	Y	A	-0.9040
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9372
136	N	A	-1.1555
137	Y	A	-0.1395
138	V	A	0.0000
139	A	A	0.3954
140	P	A	0.7647
141	V	A	1.7837