Project name: SH3_E94Q

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA94Q
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0598832 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: -3.1044
• Maximal score value: 1.7925
• Average score: -0.9296
• Total score value: -52.989

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	0.4996
86	L	A	0.7298
87	F	A	0.8834
88	V	A	0.3998
89	A	A	0.0000
90	L	A	-0.1177
91	Y	A	-0.4345
92	D	A	-2.2624
93	Y	A	-1.5691
94	Q	A	-2.0006	mutated: EA94Q
95	A	A	-2.3098
96	R	A	-2.8385
97	T	A	-2.5879
98	E	A	-3.1044
99	D	A	-3.0448
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.9451
103	F	A	0.0000
104	H	A	-2.5676
105	K	A	-2.3415
106	G	A	-1.4291
107	E	A	-1.3261
108	K	A	-0.7251
109	F	A	0.0000
110	Q	A	-0.5970
111	I	A	-0.0392
112	L	A	0.2174
113	N	A	-0.8484
114	S	A	-1.1574
115	S	A	-1.5858
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0438
121	E	A	-1.1338
122	A	A	0.0000
123	R	A	-1.7960
124	S	A	0.0000
125	L	A	-0.1858
126	T	A	-0.5877
127	T	A	-0.8896
128	G	A	-1.4402
129	E	A	-2.2870
130	T	A	-1.7247
131	G	A	-1.4963
132	Y	A	-0.8621
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9195
136	N	A	-1.1504
137	Y	A	-0.1020
138	V	A	0.0000
139	A	A	0.4142
140	P	A	0.7663
141	V	A	1.7925