Project name: SH3_S140R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA140R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.678734 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: -3.5168
• Maximal score value: 1.2508
• Average score: -1.0042
• Total score value: -60.2498

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	-0.4513
82	S	A	-0.6832
83	H	A	-0.7923
84	M	A	-0.0779
85	T	A	-0.7985
86	F	A	-0.8546
87	V	A	-1.4110
88	A	A	0.0000
89	L	A	-0.3943
90	Y	A	-0.7749
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	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.5168
104	K	A	-2.9202
105	G	A	-2.0560
106	E	A	0.0000
107	R	A	-2.4387
108	L	A	0.0000
109	Q	A	-0.2878
110	I	A	0.4369
111	V	A	1.2508
112	N	A	-0.4196
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6978
120	L	A	0.4052
121	A	A	0.0000
122	H	A	-0.3823
123	S	A	0.0000
124	L	A	-0.2750
125	T	A	-0.7780
126	T	A	-0.8766
127	G	A	-0.8153
128	Q	A	-1.4110
129	T	A	-0.4939
130	G	A	0.0000
131	Y	A	0.2197
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2488
136	Y	A	-0.2498
137	V	A	0.0000
138	A	A	-0.5227
139	P	A	-1.0313
140	R	A	-1.9000	mutated: SA140R