Project name: SH3_N135C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA135C
Energy difference between WT (input) and mutated protein (by FoldX)	0.105272 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: -3.4753
• Maximal score value: 1.2498
• Average score: -0.7936
• Total score value: -47.6178

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	-0.1022
87	V	A	-0.6150
88	A	A	0.0000
89	L	A	0.0082
90	Y	A	-0.4702
91	D	A	-2.8331
92	Y	A	-2.0950
93	E	A	-2.8821
94	S	A	0.0000
95	R	A	-2.7838
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3230
100	L	A	0.0000
101	S	A	-1.9038
102	F	A	0.0000
103	K	A	-3.4753
104	K	A	-2.8443
105	G	A	-1.9557
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4369
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8146
114	T	A	-1.7328
115	E	A	-2.9366
116	G	A	-2.3873
117	D	A	-2.3241
118	W	A	-1.0622
119	W	A	-0.4906
120	L	A	0.4043
121	A	A	0.0000
122	H	A	-0.3840
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4950
130	G	A	0.0000
131	Y	A	0.2193
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.3015
135	C	A	0.7684	mutated: NA135C
136	Y	A	0.7922
137	V	A	0.0000
138	A	A	0.3549
139	P	A	-0.1505
140	S	A	-0.1759