Project name: SH3_S101D

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA101D
Energy difference between WT (input) and mutated protein (by FoldX)	1.52898 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: -3.8221
• Maximal score value: 1.2498
• Average score: -0.9819
• Total score value: -58.9156

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	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-3.1409
92	Y	A	-2.6322
93	E	A	-3.5416
94	S	A	0.0000
95	R	A	-3.0237
96	T	A	-2.3357
97	E	A	-2.3464
98	T	A	-1.4085
99	D	A	-1.6899
100	L	A	0.0000
101	D	A	-3.5475	mutated: SA101D
102	F	A	0.0000
103	K	A	-3.8221
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4372
111	V	A	1.2498
112	N	A	-0.4200
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	-1.3398
119	W	A	-0.6953
120	L	A	0.4081
121	A	A	0.0000
122	H	A	-0.3754
123	S	A	0.0000
124	L	A	-0.2740
125	T	A	-0.7754
126	T	A	-1.0459
127	G	A	-0.8018
128	Q	A	-1.6439
129	T	A	-0.7144
130	G	A	0.0000
131	Y	A	0.0037
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759