Project name: SH3_S114W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA114W
Energy difference between WT (input) and mutated protein (by FoldX)	-0.871923 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: 1.7964
• Average score: -0.8787
• Total score value: -50.0843

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	0.4942
86	L	A	0.7634
87	F	A	0.8975
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	-2.6259
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	-1.4581
107	E	A	-1.3078
108	K	A	-0.6573
109	F	A	0.0000
110	Q	A	-0.6116
111	I	A	0.0290
112	L	A	0.2329
113	N	A	-0.3356
114	W	A	0.0937	mutated: SA114W
115	S	A	-0.9587
116	E	A	-2.1527
117	G	A	-1.7890
118	D	A	-2.1465
119	W	A	-0.8211
120	W	A	-0.6004
121	E	A	-0.9275
122	A	A	0.0000
123	R	A	-1.7801
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	-1.7287
131	G	A	-1.5316
132	Y	A	-0.7571
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.7224
136	N	A	-1.1513
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