Project name: SH3_T129F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA129F
Energy difference between WT (input) and mutated protein (by FoldX)	0.706244 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: 1.4448
• Average score: -0.794
• Total score value: -47.6426

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	-0.5019
82	S	A	-0.6760
83	H	A	-0.7865
84	M	A	0.2752
85	T	A	0.0000
86	F	A	-0.0936
87	V	A	-0.6167
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	-2.1552
97	E	A	-2.3537
98	T	A	-0.9304
99	D	A	-0.9756
100	L	A	0.0000
101	S	A	-1.6151
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	-1.9997
108	L	A	0.0000
109	Q	A	-0.0750
110	I	A	0.4239
111	V	A	1.0375
112	N	A	-0.6345
113	N	A	-1.9146
114	T	A	-1.7820
115	E	A	-2.9350
116	G	A	-2.6065
117	D	A	-2.6855
118	W	A	-1.3466
119	W	A	-0.8025
120	L	A	0.6213
121	A	A	0.0000
122	H	A	0.3430
123	S	A	0.0000
124	L	A	0.1953
125	T	A	-0.6812
126	T	A	-0.5505
127	G	A	-0.3208
128	Q	A	-0.4199
129	F	A	1.4448	mutated: TA129F
130	G	A	0.0000
131	Y	A	0.5402
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2891
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1460
140	S	A	-0.1759