Project name: SH3_T85D

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA85D
Energy difference between WT (input) and mutated protein (by FoldX)	0.673234 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: 1.4035
• Average score: -1.0478
• Total score value: -59.7257

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	D	A	-1.2119	mutated: TA85D
86	L	A	-0.0690
87	F	A	0.4746
88	V	A	0.2410
89	A	A	0.0000
90	L	A	-0.1550
91	Y	A	-0.5748
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	-2.7282
105	K	A	-2.4059
106	G	A	-1.4620
107	E	A	-1.3127
108	K	A	-0.6547
109	F	A	0.0000
110	Q	A	-0.8793
111	I	A	-0.3743
112	L	A	0.1344
113	N	A	-0.8927
114	S	A	-1.1828
115	S	A	-1.5957
116	E	A	-2.5591
117	G	A	-2.1323
118	D	A	-2.4437
119	W	A	-1.1023
120	W	A	-1.0593
121	E	A	-1.1575
122	A	A	0.0000
123	R	A	-1.7198
124	S	A	0.0000
125	L	A	0.0558
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6947
131	G	A	-1.5009
132	Y	A	-0.8693
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9264
136	N	A	-1.1505
137	Y	A	-0.1281
138	V	A	0.0000
139	A	A	0.2255
140	P	A	0.3340
141	V	A	1.4035