Project name: SH3_T129G

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA129G
Energy difference between WT (input) and mutated protein (by FoldX)	0.931996 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: 0.7097
• Average score: -0.9474
• Total score value: -56.8429

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	-0.4995
82	S	A	-0.6729
83	H	A	-0.7843
84	M	A	0.2792
85	T	A	0.0000
86	F	A	-0.0885
87	V	A	-0.6141
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	-2.1540
97	E	A	-2.3526
98	T	A	-1.3034
99	D	A	-1.3924
100	L	A	0.0000
101	S	A	-1.9607
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	-2.0176
108	L	A	0.0000
109	Q	A	-0.3869
110	I	A	0.1487
111	V	A	0.7097
112	N	A	-0.6585
113	N	A	-1.9183
114	T	A	-1.7852
115	E	A	-2.9359
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3418
119	W	A	-0.8100
120	L	A	0.1381
121	A	A	0.0000
122	H	A	-0.8106
123	S	A	0.0000
124	L	A	-0.1482
125	T	A	-0.7035
126	T	A	-0.9105
127	G	A	-0.9142
128	Q	A	-1.6435
129	G	A	-1.0152	mutated: TA129G
130	G	A	0.0000
131	Y	A	0.0555
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2853
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1439
140	S	A	-0.1759