Project name: SH3_W120M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA120M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.247986 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: 1.8295
• Average score: -0.9539
• Total score value: -54.3724

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	0.5428
86	L	A	0.8433
87	F	A	1.0204
88	V	A	0.4786
89	A	A	0.0000
90	L	A	-0.1397
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	-1.4466
107	E	A	-1.2932
108	K	A	-0.6109
109	F	A	0.0000
110	Q	A	-0.4958
111	I	A	-0.0802
112	L	A	0.0991
113	N	A	-0.9820
114	S	A	-1.3336
115	S	A	-1.6822
116	E	A	-2.6467
117	G	A	-2.2522
118	D	A	-2.5432
119	W	A	-1.2265
120	M	A	0.0000	mutated: WA120M
121	E	A	-1.2590
122	A	A	0.0000
123	R	A	-1.7302
124	S	A	0.0000
125	L	A	0.0691
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6910
131	G	A	-1.5264
132	Y	A	-0.9332
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9913
136	N	A	-1.1763
137	Y	A	-0.1183
138	V	A	0.0000
139	A	A	0.4463
140	P	A	0.8175
141	V	A	1.8295