Project name: SH3_T129C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA129C
Energy difference between WT (input) and mutated protein (by FoldX)	0.45906 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: 1.3181
• Average score: -0.8625
• Total score value: -51.7479

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	-0.4548
82	S	A	-0.6877
83	H	A	-0.7949
84	M	A	0.2602
85	T	A	0.0000
86	F	A	-0.1128
87	V	A	-0.6267
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	-2.1549
97	E	A	-2.3535
98	T	A	-1.1287
99	D	A	-1.1972
100	L	A	0.0000
101	S	A	-1.8015
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	-2.1023
108	L	A	0.0000
109	Q	A	-0.2374
110	I	A	0.4778
111	V	A	1.3181
112	N	A	-0.4124
113	N	A	-1.8022
114	T	A	-1.7253
115	E	A	-2.9310
116	G	A	-2.6068
117	D	A	-2.6853
118	W	A	-1.3381
119	W	A	-0.6972
120	L	A	0.5395
121	A	A	0.0000
122	H	A	-0.2094
123	S	A	0.0000
124	L	A	-0.2628
125	T	A	-0.8174
126	T	A	-0.8175
127	G	A	-0.7176
128	Q	A	-1.1118
129	C	A	0.1616	mutated: TA129C
130	G	A	0.0000
131	Y	A	0.3502
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2844
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1540
140	S	A	-0.1759