Project name: SH3_Y91I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA91I
Energy difference between WT (input) and mutated protein (by FoldX)	0.705026 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: -0.8876
• Total score value: -50.5906

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	0.9427
88	V	A	0.5517
89	A	A	0.0000
90	L	A	0.3963
91	I	A	0.2696	mutated: YA91I
92	D	A	-1.9339
93	Y	A	-1.6135
94	E	A	-2.5166
95	A	A	-2.5958
96	R	A	-2.9850
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	-2.1528
103	F	A	0.0000
104	H	A	-2.4105
105	K	A	-1.9584
106	G	A	-1.2430
107	E	A	-1.1596
108	K	A	-0.6210
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
112	L	A	0.1429
113	N	A	-0.8883
114	S	A	-1.1799
115	S	A	-1.5966
116	E	A	-2.5603
117	G	A	-2.1347
118	D	A	-2.4456
119	W	A	-1.1105
120	W	A	-1.0569
121	E	A	-1.1536
122	A	A	0.0000
123	R	A	-1.7155
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	-1.4995
132	Y	A	-0.8681
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9373
136	N	A	-1.0834
137	Y	A	0.0899
138	V	A	0.0000
139	A	A	0.4514
140	P	A	0.7757
141	V	A	1.7964