Project name: SH3_T130C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA130C
Energy difference between WT (input) and mutated protein (by FoldX)	-0.507557 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: -3.1027
• Maximal score value: 1.7964
• Average score: -0.9371
• Total score value: -53.4144

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
85	T	A	0.4749
86	L	A	0.7099
87	F	A	0.8751
88	V	A	0.4066
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6258
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1027
99	D	A	-2.9847
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1595
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3042
108	K	A	-0.6969
109	F	A	0.0000
110	Q	A	-0.6584
111	I	A	-0.0823
112	L	A	0.2297
113	N	A	-0.8566
114	S	A	-1.1527
115	S	A	-1.5823
116	E	A	-2.5570
117	G	A	-2.1318
118	D	A	-2.4420
119	W	A	-1.0977
120	W	A	-1.0578
121	E	A	-1.0557
122	A	A	0.0000
123	R	A	-1.6367
124	S	A	0.0000
125	L	A	0.0876
126	T	A	-0.4483
127	T	A	-0.7178
128	G	A	-1.1858
129	E	A	-1.9927
130	C	A	-1.2851	mutated: TA130C
131	G	A	-1.2830
132	Y	A	-0.7742
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9180
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7547
141	V	A	1.7964