Project name: SH3_Q110I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA110I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.894442 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: 1.7846
• Average score: -0.8758
• Total score value: -49.9184

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	0.7980
86	L	A	1.2512
87	F	A	1.2612
88	V	A	0.6180
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	-2.6259
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	-1.4581
107	E	A	-1.3114
108	K	A	-0.3918
109	F	A	0.0000
110	I	A	0.8859	mutated: QA110I
111	I	A	0.5925
112	L	A	0.5617
113	N	A	-0.6645
114	S	A	-1.1644
115	S	A	-1.5782
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-0.9267
121	E	A	-0.9895
122	A	A	0.0000
123	R	A	-1.5482
124	S	A	0.0000
125	L	A	0.2759
126	T	A	-0.5287
127	T	A	-0.8791
128	G	A	-1.2971
129	E	A	-2.3490
130	T	A	-1.6521
131	G	A	-1.5664
132	Y	A	-0.9061
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9300
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4101
140	P	A	0.9202
141	V	A	1.7846