Project name: SH3_R107C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA107C
Energy difference between WT (input) and mutated protein (by FoldX)	0.705999 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: -3.252
• Maximal score value: 1.2187
• Average score: -0.7713
• Total score value: -46.2758

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	-0.4632
82	S	A	-0.6992
83	H	A	-0.8044
84	M	A	0.2412
85	T	A	0.2313
86	F	A	0.4681
87	V	A	0.1236
88	A	A	0.0000
89	L	A	-0.3128
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	-1.2408
99	D	A	-1.3222
100	L	A	0.0000
101	S	A	-1.9031
102	F	A	0.0000
103	K	A	-3.2520
104	K	A	-2.5887
105	G	A	-1.4437
106	E	A	0.0000
107	C	A	0.0185	mutated: RA107C
108	L	A	0.0000
109	Q	A	0.0996
110	I	A	0.5956
111	V	A	1.2187
112	N	A	-0.4336
113	N	A	-1.8138
114	T	A	-1.7326
115	E	A	-2.9361
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3421
119	W	A	-0.7001
120	L	A	0.3876
121	A	A	0.0000
122	H	A	-0.1321
123	S	A	0.0000
124	L	A	0.3729
125	T	A	-0.1340
126	T	A	-0.5814
127	G	A	-0.7978
128	Q	A	-1.4059
129	T	A	-0.5080
130	G	A	0.0000
131	Y	A	0.2167
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2855
135	N	A	-1.2485
136	Y	A	-0.2041
137	V	A	0.0000
138	A	A	-0.0238
139	P	A	0.0679
140	S	A	0.1517