Project name: SH3_D99S

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99S
Energy difference between WT (input) and mutated protein (by FoldX)	0.0136146 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: -2.7282
• Maximal score value: 1.7964
• Average score: -0.8713
• Total score value: -49.663

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	0.5173
86	L	A	0.7932
87	F	A	0.9238
88	V	A	0.4313
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	-2.3535
96	R	A	-2.7196
97	T	A	-2.1460
98	E	A	-2.3243
99	S	A	-1.4509	mutated: DA99S
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.0314
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5094
111	I	A	-0.0515
112	L	A	0.1478
113	N	A	-0.8844
114	S	A	-1.1763
115	S	A	-1.5979
116	E	A	-2.5619
117	G	A	-2.1365
118	D	A	-2.4420
119	W	A	-1.0940
120	W	A	-1.0417
121	E	A	-0.9486
122	A	A	0.0000
123	R	A	-1.7080
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.4734
131	G	A	-0.9960
132	Y	A	-0.3881
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9154
136	N	A	-1.1515
137	Y	A	-0.1251
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964