Project name: SH3_A139I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	AA139I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0998238 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: 2.1751
• Average score: -0.8755
• Total score value: -49.9011

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	0.6745
86	L	A	1.0080
87	F	A	1.4013
88	V	A	0.8256
89	A	A	0.0000
90	L	A	0.0711
91	Y	A	-0.6215
92	D	A	-2.5767
93	Y	A	-1.9416
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	-2.7486
105	K	A	-2.4465
106	G	A	-1.3560
107	E	A	-1.3437
108	K	A	-0.5145
109	F	A	0.0000
110	Q	A	-0.5136
111	I	A	-0.0582
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	-1.7174
124	S	A	0.0000
125	L	A	0.0490
126	T	A	-0.4758
127	T	A	-0.8219
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	-0.6798
136	N	A	-0.8973
137	Y	A	0.1463
138	V	A	0.0000
139	I	A	1.8399	mutated: AA139I
140	P	A	1.5173
141	V	A	2.1751