Project name: SH3_I111A

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	IA111A
Energy difference between WT (input) and mutated protein (by FoldX)	3.68615 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: 1.7985
• Average score: -0.9896
• Total score value: -56.4088

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	0.4529
86	L	A	0.7040
87	F	A	0.8517
88	V	A	0.4280
89	A	A	0.0000
90	L	A	-0.1504
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	-1.4574
107	E	A	-1.3129
108	K	A	-0.6955
109	F	A	0.0000
110	Q	A	-0.7058
111	A	A	-0.4096	mutated: IA111A
112	L	A	0.0000
113	N	A	-0.9816
114	S	A	-1.2714
115	S	A	-1.6027
116	E	A	-2.5668
117	G	A	-2.1398
118	D	A	-2.4491
119	W	A	-1.1064
120	W	A	-1.1371
121	E	A	-1.2428
122	A	A	0.0000
123	R	A	-1.8191
124	S	A	0.0000
125	L	A	0.0238
126	T	A	-0.4881
127	T	A	-0.8294
128	G	A	-1.3692
129	E	A	-2.2470
130	T	A	-1.7388
131	G	A	-1.5316
132	Y	A	-0.9047
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9611
136	N	A	-1.1500
137	Y	A	-0.1236
138	V	A	0.0000
139	A	A	0.4179
140	P	A	0.7758
141	V	A	1.7985