Project name: SH3_S115C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA115C
Energy difference between WT (input) and mutated protein (by FoldX)	0.50899 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: -3.1026
• Maximal score value: 1.7964
• Average score: -0.9043
• Total score value: -51.5469

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
85	T	A	0.5183
86	L	A	0.7945
87	F	A	0.9250
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6256
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1026
99	D	A	-3.0428
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2056
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6420
109	F	A	0.0000
110	Q	A	-0.5079
111	I	A	-0.0539
112	L	A	0.2512
113	N	A	-0.6009
114	S	A	-0.7150
115	C	A	-0.6507	mutated: SA115C
116	E	A	-2.0950
117	G	A	-1.8292
118	D	A	-2.2798
119	W	A	-0.9761
120	W	A	-0.8815
121	E	A	-1.0415
122	A	A	0.0000
123	R	A	-1.7161
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6931
131	G	A	-1.4985
132	Y	A	-0.8639
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9190
136	N	A	-1.1500
137	Y	A	-0.1241
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964