Project name: SH3_T125R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA125R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.26521 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: -3.5789
• Maximal score value: 1.2498
• Average score: -0.9668
• Total score value: -58.0071

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	-0.0637
87	V	A	-0.5303
88	A	A	0.0000
89	L	A	-0.2281
90	Y	A	-0.6481
91	D	A	-2.7331
92	Y	A	-2.0656
93	E	A	-2.8632
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	-1.8898
102	F	A	0.0000
103	K	A	-3.5789
104	K	A	-2.6974
105	G	A	-1.9078
106	E	A	0.0000
107	R	A	-2.5129
108	L	A	0.0000
109	Q	A	-0.2430
110	I	A	0.4401
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	-1.3424
119	W	A	-0.6978
120	L	A	0.4047
121	A	A	0.0000
122	H	A	-0.6229
123	S	A	0.0000
124	L	A	-1.1464
125	R	A	-2.5253	mutated: TA125R
126	T	A	-1.7450
127	G	A	-1.3111
128	Q	A	-1.6987
129	T	A	-0.4959
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	-1.2485
136	Y	A	-0.1912
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1473
140	S	A	-0.1713