Project name: SH3_I111S

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	IA111S
Energy difference between WT (input) and mutated protein (by FoldX)	4.53228 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: 1.7948
• Average score: -0.9997
• Total score value: -56.9833

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	0.4300
86	L	A	0.6726
87	F	A	0.8179
88	V	A	0.4227
89	A	A	0.0000
90	L	A	-0.1517
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	-1.4587
107	E	A	-1.3145
108	K	A	-0.7117
109	F	A	0.0000
110	Q	A	-0.7667
111	S	A	-0.5305	mutated: IA111S
112	L	A	-0.0583
113	N	A	-1.0163
114	S	A	-1.2991
115	S	A	-1.6036
116	E	A	-2.5674
117	G	A	-2.1402
118	D	A	-2.4495
119	W	A	-1.1067
120	W	A	-1.1645
121	E	A	-1.2747
122	A	A	0.0000
123	R	A	-1.8478
124	S	A	0.0000
125	L	A	0.0227
126	T	A	-0.4881
127	T	A	-0.8294
128	G	A	-1.3692
129	E	A	-2.2470
130	T	A	-1.7525
131	G	A	-1.5435
132	Y	A	-0.9179
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9754
136	N	A	-1.1500
137	Y	A	-0.1249
138	V	A	0.0000
139	A	A	0.4142
140	P	A	0.7711
141	V	A	1.7948