Project name: SH3_Q110H

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA110H
Energy difference between WT (input) and mutated protein (by FoldX)	0.737392 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: 1.7889
• Average score: -0.9803
• Total score value: -55.8783

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	0.4734
86	L	A	0.7384
87	F	A	0.8825
88	V	A	0.4284
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	-3.0435
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2060
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.2929
108	K	A	-0.6410
109	F	A	0.0000
110	H	A	-0.6468	mutated: QA110H
111	I	A	-0.3121
112	L	A	-0.1367
113	N	A	-1.0357
114	S	A	-1.2577
115	S	A	-1.6215
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.1282
121	E	A	-1.2544
122	A	A	0.0000
123	R	A	-1.7373
124	S	A	0.0000
125	L	A	0.1315
126	T	A	-0.4310
127	T	A	-0.7938
128	G	A	-1.3282
129	E	A	-2.2143
130	T	A	-1.7119
131	G	A	-1.5259
132	Y	A	-0.8986
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9355
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4122
140	P	A	0.7646
141	V	A	1.7889