Project name: SH3_T85I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA85I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.67512 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: 2.5899
• Average score: -0.8621
• Total score value: -49.14

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	I	A	2.5899	mutated: TA85I
86	L	A	1.7938
87	F	A	1.3852
88	V	A	0.6240
89	A	A	0.0000
90	L	A	-0.1557
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	-1.4627
107	E	A	-1.3137
108	K	A	-0.6557
109	F	A	0.0000
110	Q	A	-0.0945
111	I	A	0.2820
112	L	A	0.1381
113	N	A	-0.8907
114	S	A	-1.1815
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0579
121	E	A	-1.1556
122	A	A	0.0000
123	R	A	-1.7179
124	S	A	0.0000
125	L	A	0.0552
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6938
131	G	A	-1.5002
132	Y	A	-0.8684
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9263
136	N	A	-1.1504
137	Y	A	-0.1288
138	V	A	0.0000
139	A	A	0.6198
140	P	A	1.2774
141	V	A	2.2462