Project name: SH3_S140H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA140H
Energy difference between WT (input) and mutated protein (by FoldX)	0.271864 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: -3.4904
• Maximal score value: 1.2508
• Average score: -0.9359
• Total score value: -56.1542

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	-0.4506
82	S	A	-0.6820
83	H	A	-0.7908
84	M	A	0.1049
85	T	A	0.0000
86	F	A	-0.4509
87	V	A	-1.0160
88	A	A	0.0000
89	L	A	-0.3702
90	Y	A	-0.7637
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.4904
104	K	A	-2.8834
105	G	A	-1.9913
106	E	A	0.0000
107	R	A	-2.1153
108	L	A	0.0000
109	Q	A	-0.2403
110	I	A	0.4548
111	V	A	1.2508
112	N	A	-0.4196
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6978
120	L	A	0.4052
121	A	A	0.0000
122	H	A	-0.3591
123	S	A	0.0000
124	L	A	-0.2262
125	T	A	-0.7312
126	T	A	-0.8555
127	G	A	-0.8153
128	Q	A	-1.4110
129	T	A	-0.4939
130	G	A	0.0000
131	Y	A	0.2197
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2365
137	V	A	0.0000
138	A	A	-0.2828
139	P	A	-0.5715
140	H	A	-0.9937	mutated: SA140H