Project name: SH3_E121W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA121W
Energy difference between WT (input) and mutated protein (by FoldX)	-1.4411 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: -3.0929
• Maximal score value: 1.7964
• Average score: -0.8459
• Total score value: -48.2189

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	0.5159
86	L	A	0.7932
87	F	A	0.9221
88	V	A	0.4304
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	-2.6188
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0929
99	D	A	-2.8892
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1959
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	-0.6405
109	F	A	0.0000
110	Q	A	-0.4006
111	I	A	0.1643
112	L	A	0.3355
113	N	A	-0.5405
114	S	A	-0.9462
115	S	A	-1.4796
116	E	A	-2.3951
117	G	A	-2.0116
118	D	A	-2.3108
119	W	A	-0.8190
120	W	A	-0.5040
121	W	A	-0.0330	mutated: EA121W
122	A	A	0.0000
123	R	A	-1.4810
124	S	A	0.0000
125	L	A	0.0658
126	T	A	-0.4692
127	T	A	-0.8141
128	G	A	-1.3401
129	E	A	-2.2131
130	T	A	-1.4144
131	G	A	0.0000
132	Y	A	-0.3631
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.7773
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7749
141	V	A	1.7964