Project name: SH3_S135C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA135C
Energy difference between WT (input) and mutated protein (by FoldX)	0.0295249 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: -3.1028
• Maximal score value: 1.7964
• Average score: -0.9509
• Total score value: -54.2025

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	0.5173
86	L	A	0.7932
87	F	A	0.9417
88	V	A	0.4316
89	A	A	0.0000
90	L	A	-0.1506
91	Y	A	-0.5743
92	D	A	-2.5596
93	Y	A	-1.9312
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4057
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5095
111	I	A	-0.0425
112	L	A	0.1421
113	N	A	-0.8893
114	S	A	-1.1579
115	S	A	-1.5970
116	E	A	-2.5608
117	G	A	-2.1159
118	D	A	-2.4001
119	W	A	-1.0584
120	W	A	-1.0194
121	E	A	-1.1375
122	A	A	0.0000
123	R	A	-1.7160
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	-1.6927
131	G	A	-1.4999
132	Y	A	-0.8492
133	I	A	0.0000
134	P	A	0.0000
135	C	A	-0.7781	mutated: SA135C
136	N	A	-1.0811
137	Y	A	-0.0763
138	V	A	0.0000
139	A	A	0.4402
140	P	A	0.7757
141	V	A	1.7964