Project name: SH3_T96H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA96H
Energy difference between WT (input) and mutated protein (by FoldX)	-0.111164 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: -3.4867
• Maximal score value: 1.2501
• Average score: -0.9361
• Total score value: -56.167

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
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3137
90	Y	A	-0.7392
91	D	A	-2.8579
92	Y	A	-2.1084
93	E	A	-2.9894
94	S	A	0.0000
95	R	A	-3.2197
96	H	A	-3.0521	mutated: TA96H
97	E	A	-2.7787
98	T	A	-1.4917
99	D	A	-1.5360
100	L	A	0.0000
101	S	A	-1.9961
102	F	A	0.0000
103	K	A	-3.4867
104	K	A	-2.8632
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4375
111	V	A	1.2501
112	N	A	-0.4193
113	N	A	-1.8135
114	T	A	-1.7325
115	E	A	-2.9357
116	G	A	-2.6079
117	D	A	-2.6831
118	W	A	-1.3314
119	W	A	-0.6881
120	L	A	0.4170
121	A	A	0.0000
122	H	A	-0.3837
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.4051
129	T	A	-0.4826
130	G	A	0.0000
131	Y	A	0.1519
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2846
135	N	A	-1.2482
136	Y	A	-0.2052
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759