Project name: SH3_D99D

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99D
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0126564 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: -3.1027
• Maximal score value: 1.7964
• Average score: -0.9598
• Total score value: -54.7088

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	-2.6257
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1027
99	D	A	-3.0431	mutated: DA99D
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2058
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	-0.5091
111	I	A	-0.0567
112	L	A	0.1431
113	N	A	-0.8878
114	S	A	-1.1793
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4443
119	W	A	-1.1024
120	W	A	-1.0553
121	E	A	-1.1525
122	A	A	0.0000
123	R	A	-1.7153
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	-1.6925
131	G	A	-1.4986
132	Y	A	-0.8662
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9204
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964