Project name: SH3_E121Q

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA121Q
Energy difference between WT (input) and mutated protein (by FoldX)	-0.554461 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: -3.1057
• Maximal score value: 1.7964
• Average score: -0.9496
• Total score value: -54.1299

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	-2.6291
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1057
99	D	A	-3.0363
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2093
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	-0.4929
111	I	A	-0.0245
112	L	A	0.1821
113	N	A	-0.8117
114	S	A	-1.1374
115	S	A	-1.5714
116	E	A	-2.5333
117	G	A	-2.1162
118	D	A	-2.4303
119	W	A	-1.0783
120	W	A	-0.9953
121	Q	A	-1.0346	mutated: EA121Q
122	A	A	0.0000
123	R	A	-1.6991
124	S	A	0.0000
125	L	A	0.0589
126	T	A	-0.4730
127	T	A	-0.8210
128	G	A	-1.3576
129	E	A	-2.2408
130	T	A	-1.6755
131	G	A	-1.4746
132	Y	A	-0.8398
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9102
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