Project name: SH3_I111C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	IA111C
Energy difference between WT (input) and mutated protein (by FoldX)	2.70796 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure 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: -0.975
• Total score value: -55.5744

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	0.4864
86	L	A	0.7533
87	F	A	0.8887
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	-2.6259
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	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6622
109	F	A	0.0000
110	Q	A	-0.5952
111	C	A	-0.2383	mutated: IA111C
112	L	A	0.0598
113	N	A	-0.9475
114	S	A	-1.2448
115	S	A	-1.6084
116	E	A	-2.5678
117	G	A	-2.1398
118	D	A	-2.4500
119	W	A	-1.1083
120	W	A	-1.1049
121	E	A	-1.2036
122	A	A	0.0000
123	R	A	-1.7570
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	-1.7122
131	G	A	-1.5160
132	Y	A	-0.8890
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9441
136	N	A	-1.1503
137	Y	A	-0.1242
138	V	A	0.0000
139	A	A	0.4159
140	P	A	0.7757
141	V	A	1.7964