Project name: SH3_E121K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA121K
Energy difference between WT (input) and mutated protein (by FoldX)	-1.54734 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: -3.1084
• Maximal score value: 1.7964
• Average score: -0.9602
• Total score value: -54.7289

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	0.5173
86	L	A	0.7932
87	F	A	0.9238
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	-2.6321
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1084
99	D	A	-3.0652
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2118
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	-0.6426
109	F	A	0.0000
110	Q	A	-0.4874
111	I	A	-0.0165
112	L	A	0.2437
113	N	A	-0.8251
114	S	A	-1.1572
115	S	A	-1.5792
116	E	A	-2.5608
117	G	A	-2.1368
118	D	A	-2.4559
119	W	A	-1.1329
120	W	A	-1.0770
121	K	A	-1.2016	mutated: EA121K
122	A	A	0.0000
123	R	A	-1.7153
124	S	A	0.0000
125	L	A	0.0594
126	T	A	-0.4730
127	T	A	-0.8204
128	G	A	-1.3562
129	E	A	-2.2380
130	T	A	-1.7027
131	G	A	-1.5337
132	Y	A	-0.9333
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9385
136	N	A	-1.1508
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964