Project name: SH3_T129W

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA129W
Energy difference between WT (input) and mutated protein (by FoldX)	0.747786 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: 1.3397
• Average score: -0.8394
• Total score value: -50.3636

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	-0.4540
82	S	A	-0.6866
83	H	A	-0.7941
84	M	A	0.2617
85	T	A	0.0000
86	F	A	-0.1109
87	V	A	-0.6257
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	-2.7835
96	T	A	-2.1566
97	E	A	-2.3550
98	T	A	-1.0629
99	D	A	-1.1288
100	L	A	0.0000
101	S	A	-1.7261
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	-2.1050
108	L	A	0.0000
109	Q	A	-0.1916
110	I	A	0.4977
111	V	A	1.3397
112	N	A	-0.4624
113	N	A	-1.8336
114	T	A	-1.7409
115	E	A	-2.9459
116	G	A	-2.6068
117	D	A	-2.6874
118	W	A	-1.3711
119	W	A	-0.7662
120	L	A	0.5117
121	A	A	0.0000
122	H	A	-0.0182
123	S	A	0.0000
124	L	A	-0.1890
125	T	A	-0.8114
126	T	A	-0.7265
127	G	A	-0.5585
128	Q	A	-0.8328
129	W	A	0.6763	mutated: TA129W
130	G	A	0.0000
131	Y	A	0.3817
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3017
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1532
140	S	A	-0.1759