Project name: SH3_T85K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA85K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.392584 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: 1.4379
• Average score: -1.0394
• Total score value: -59.2465

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	K	A	-1.0957	mutated: TA85K
86	L	A	0.0208
87	F	A	0.5255
88	V	A	0.2100
89	A	A	0.0000
90	L	A	-0.1752
91	Y	A	-0.5856
92	D	A	-2.5609
93	Y	A	-1.9321
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	-2.7387
105	K	A	-2.4227
106	G	A	-1.4849
107	E	A	-1.3272
108	K	A	-0.6611
109	F	A	0.0000
110	Q	A	-0.8315
111	I	A	-0.3308
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1794
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	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7014
124	S	A	0.0000
125	L	A	0.1035
126	T	A	-0.4501
127	T	A	-0.8069
128	G	A	-1.3409
129	E	A	-2.2315
130	T	A	-1.6868
131	G	A	-1.4992
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9209
136	N	A	-1.1511
137	Y	A	-0.1367
138	V	A	0.0000
139	A	A	0.2417
140	P	A	0.3929
141	V	A	1.4379