Project name: SH3_A139C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	AA139C
Energy difference between WT (input) and mutated protein (by FoldX)	0.0818167 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: 1.9127
• Average score: -0.9349
• Total score value: -53.2921

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	0.5655
86	L	A	0.8601
87	F	A	1.0697
88	V	A	0.5574
89	A	A	0.0000
90	L	A	-0.0986
91	Y	A	-0.5942
92	D	A	-2.5680
93	Y	A	-1.9364
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	-2.7350
105	K	A	-2.4205
106	G	A	-1.4280
107	E	A	-1.3164
108	K	A	-0.6008
109	F	A	0.0000
110	Q	A	-0.5083
111	I	A	-0.0573
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7161
124	S	A	0.0000
125	L	A	0.0576
126	T	A	-0.4739
127	T	A	-0.8211
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6927
131	G	A	-1.4992
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8504
136	N	A	-1.0789
137	Y	A	-0.0482
138	V	A	0.0000
139	C	A	0.8339	mutated: AA139C
140	P	A	0.9992
141	V	A	1.9127