Project name: SH3_I111I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	IA111I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.00624823 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: 1.796
• Average score: -0.9597
• Total score value: -54.7044

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	0.5174
86	L	A	0.7931
87	F	A	0.9230
88	V	A	0.4307
89	A	A	0.0000
90	L	A	-0.1513
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	-1.4582
107	E	A	-1.3080
108	K	A	-0.6428
109	F	A	0.0000
110	Q	A	-0.5073
111	I	A	-0.0536	mutated: IA111I
112	L	A	0.1474
113	N	A	-0.8866
114	S	A	-1.1807
115	S	A	-1.5970
116	E	A	-2.5606
117	G	A	-2.1345
118	D	A	-2.4448
119	W	A	-1.1029
120	W	A	-1.0547
121	E	A	-1.1514
122	A	A	0.0000
123	R	A	-1.7141
124	S	A	0.0000
125	L	A	0.0590
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6919
131	G	A	-1.4984
132	Y	A	-0.8667
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9207
136	N	A	-1.1503
137	Y	A	-0.1245
138	V	A	0.0000
139	A	A	0.4154
140	P	A	0.7751
141	V	A	1.7960