Project name: SH3_N113C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113C
Energy difference between WT (input) and mutated protein (by FoldX)	0.120954 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: -3.4838
• Maximal score value: 1.7257
• Average score: -0.7519
• Total score value: -45.1158

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	-0.4483
82	S	A	-0.6801
83	H	A	-0.7912
84	M	A	0.2701
85	T	A	0.0000
86	F	A	-0.1000
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
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	-1.3223
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0692
108	L	A	0.0000
109	Q	A	-0.2375
110	I	A	0.9090
111	V	A	1.7257
112	N	A	0.5690
113	C	A	0.1999	mutated: NA113C
114	T	A	-0.7492
115	E	A	-2.2576
116	G	A	-2.1193
117	D	A	-2.3921
118	W	A	-0.9373
119	W	A	0.0734
120	L	A	0.8937
121	A	A	0.0000
122	H	A	-0.3774
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	-0.4927
130	G	A	0.0000
131	Y	A	0.4422
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.0068
135	N	A	-1.2480
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1482
140	S	A	-0.1759