Project name: SH3_V141D

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA141D
Energy difference between WT (input) and mutated protein (by FoldX)	0.85299 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: 0.1378
• Average score: -1.1588
• Total score value: -66.0488

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	-0.3015
86	L	A	-0.3609
87	F	A	-0.3222
88	V	A	-0.5852
89	A	A	0.0000
90	L	A	-0.1465
91	Y	A	-0.5736
92	D	A	-2.5594
93	Y	A	-1.9312
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	-2.7253
105	K	A	-2.4022
106	G	A	-1.8099
107	E	A	-1.2890
108	K	A	-1.2132
109	F	A	0.0000
110	Q	A	-0.5340
111	I	A	-0.0753
112	L	A	0.1378
113	N	A	-0.8903
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	-1.0578
121	E	A	-1.1558
122	A	A	0.0000
123	R	A	-1.7136
124	S	A	0.0000
125	L	A	0.0968
126	T	A	-0.4479
127	T	A	-0.8066
128	G	A	-1.3469
129	E	A	-2.2334
130	T	A	-1.6904
131	G	A	-1.4991
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1501
137	Y	A	-0.1235
138	V	A	0.0000
139	A	A	-0.5081
140	P	A	-0.9797
141	D	A	-1.7770	mutated: VA141D