Project name: SH3_N113I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113I
Energy difference between WT (input) and mutated protein (by FoldX)	0.207586 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: -3.4838
• Maximal score value: 2.0086
• Average score: -0.6643
• Total score value: -39.8594

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	-0.4499
82	S	A	-0.6816
83	H	A	-0.7912
84	M	A	0.2682
85	T	A	0.0000
86	F	A	-0.1026
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3239
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0705
108	L	A	0.0000
109	Q	A	-0.2447
110	I	A	1.1766
111	V	A	2.0086
112	N	A	1.1786
113	I	A	1.4699	mutated: NA113I
114	T	A	-0.1267
115	E	A	-1.8297
116	G	A	-1.8112
117	D	A	-2.2092
118	W	A	-0.6879
119	W	A	0.5401
120	L	A	1.1869
121	A	A	0.0000
122	H	A	-0.3827
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	-0.4940
130	G	A	0.0000
131	Y	A	0.5742
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.8362
135	N	A	-1.2494
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1495
140	S	A	-0.1759