Project name: SH3_I111E

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	IA111E
Energy difference between WT (input) and mutated protein (by FoldX)	4.44497 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: 1.7924
• Average score: -1.0483
• Total score value: -59.7532

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	0.3199
86	L	A	0.5292
87	F	A	0.6877
88	V	A	0.4193
89	A	A	0.0000
90	L	A	-0.1525
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	-1.4595
107	E	A	-1.3156
108	K	A	-0.7825
109	F	A	0.0000
110	Q	A	-1.1031
111	E	A	-1.1929	mutated: IA111E
112	L	A	-0.4398
113	N	A	-1.1933
114	S	A	-1.3770
115	S	A	-1.5735
116	E	A	-2.5415
117	G	A	-2.1192
118	D	A	-2.4319
119	W	A	-1.0905
120	W	A	-1.2967
121	E	A	-1.4537
122	A	A	0.0000
123	R	A	-2.0212
124	S	A	0.0000
125	L	A	0.0220
126	T	A	-0.4881
127	T	A	-0.8294
128	G	A	-1.3692
129	E	A	-2.2470
130	T	A	-1.8388
131	G	A	-1.6186
132	Y	A	-0.9894
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-1.0330
136	N	A	-1.1505
137	Y	A	-0.1257
138	V	A	0.0000
139	A	A	0.4118
140	P	A	0.7681
141	V	A	1.7924