Project name: SH3_S134I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA134I
Energy difference between WT (input) and mutated protein (by FoldX)	0.255689 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: -3.4735
• Maximal score value: 1.2553
• Average score: -0.8702
• Total score value: -52.2091

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
81	G	A	-0.4514
82	S	A	-0.6830
83	H	A	-0.7912
84	M	A	0.2652
85	T	A	0.0000
86	F	A	-0.1010
87	V	A	-0.6073
88	A	A	0.0000
89	L	A	-0.2655
90	Y	A	-0.6724
91	D	A	-2.8196
92	Y	A	-2.0859
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1552
97	E	A	-2.3537
98	T	A	-1.2439
99	D	A	-1.3317
100	L	A	0.0000
101	S	A	-1.9048
102	F	A	0.0000
103	K	A	-3.4735
104	K	A	-2.8326
105	G	A	-1.9553
106	E	A	0.0000
107	R	A	-2.0733
108	L	A	0.0000
109	Q	A	-0.2496
110	I	A	0.4799
111	V	A	1.2553
112	N	A	-0.4046
113	N	A	-1.7528
114	T	A	-1.7284
115	E	A	-2.8865
116	G	A	-2.5259
117	D	A	-2.5654
118	W	A	-1.2174
119	W	A	-0.5988
120	L	A	0.4494
121	A	A	0.0000
122	H	A	-0.3849
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4971
130	G	A	0.0000
131	Y	A	0.2572
132	I	A	0.0000
133	P	A	-0.3418
134	I	A	-0.8634	mutated: SA134I
135	N	A	-1.0109
136	Y	A	0.0168
137	V	A	0.0000
138	A	A	0.0586
139	P	A	-0.1531
140	S	A	-0.1777