Project name: SH3_R107I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA107I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.208405 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: -3.2102
• Maximal score value: 1.2257
• Average score: -0.7423
• Total score value: -44.5387

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	-0.4609
82	S	A	-0.6962
83	H	A	-0.8023
84	M	A	0.2447
85	T	A	0.3419
86	F	A	0.5597
87	V	A	0.1979
88	A	A	0.0000
89	L	A	-0.3412
90	Y	A	-0.7500
91	D	A	-2.8532
92	Y	A	-2.1058
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	-1.2408
99	D	A	-1.3223
100	L	A	0.0000
101	S	A	-1.9031
102	F	A	0.0000
103	K	A	-3.2102
104	K	A	-2.5465
105	G	A	-1.3569
106	E	A	0.0000
107	I	A	0.4869	mutated: RA107I
108	L	A	0.0000
109	Q	A	0.2246
110	I	A	0.6552
111	V	A	1.2257
112	N	A	-0.4305
113	N	A	-1.8138
114	T	A	-1.7326
115	E	A	-2.9361
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3421
119	W	A	-0.6994
120	L	A	0.3917
121	A	A	0.0000
122	H	A	-0.0332
123	S	A	0.0000
124	L	A	0.5914
125	T	A	0.0437
126	T	A	-0.4964
127	G	A	-0.7760
128	Q	A	-1.3930
129	T	A	-0.4954
130	G	A	0.0000
131	Y	A	0.2176
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2855
135	N	A	-1.2488
136	Y	A	-0.2197
137	V	A	0.0000
138	A	A	-0.0559
139	P	A	0.0957
140	S	A	0.1971