Project name: SH3_W120L

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA120L
Energy difference between WT (input) and mutated protein (by FoldX)	0.283969 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: 1.8457
• Average score: -0.9479
• Total score value: -54.028

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	0.5548
86	L	A	0.8674
87	F	A	1.0686
88	V	A	0.5022
89	A	A	0.0000
90	L	A	-0.1335
91	Y	A	-0.5743
92	D	A	-2.5596
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	-2.7282
105	K	A	-2.4057
106	G	A	-1.4409
107	E	A	-1.2860
108	K	A	-0.5956
109	F	A	0.0000
110	Q	A	-0.4822
111	I	A	-0.0669
112	L	A	0.1011
113	N	A	-0.9770
114	S	A	-1.3253
115	S	A	-1.6731
116	E	A	-2.6328
117	G	A	-2.2238
118	D	A	-2.5292
119	W	A	-1.2179
120	L	A	0.0000	mutated: WA120L
121	E	A	-1.2549
122	A	A	0.0000
123	R	A	-1.7292
124	S	A	0.0000
125	L	A	0.0741
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6906
131	G	A	-1.5260
132	Y	A	-0.9327
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9802
136	N	A	-1.1752
137	Y	A	-0.1108
138	V	A	0.0000
139	A	A	0.4630
140	P	A	0.8381
141	V	A	1.8457