Project name: SH3_T130E

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA130E
Energy difference between WT (input) and mutated protein (by FoldX)	0.196666 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: -3.3474
• Maximal score value: 1.7964
• Average score: -1.0708
• Total score value: -61.0344

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	0.7461
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	-2.6261
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1032
99	D	A	-3.2868
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.3866
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	-0.6443
109	F	A	0.0000
110	Q	A	-0.8176
111	I	A	-0.2817
112	L	A	-0.0272
113	N	A	-0.8939
114	S	A	-1.1755
115	S	A	-1.5938
116	E	A	-2.5693
117	G	A	-2.1411
118	D	A	-2.4522
119	W	A	-1.1192
120	W	A	-1.0673
121	E	A	-1.5658
122	A	A	0.0000
123	R	A	-2.2752
124	S	A	0.0000
125	L	A	-0.0634
126	T	A	-0.3953
127	T	A	-0.9543
128	G	A	-1.6281
129	E	A	-2.9478
130	E	A	-3.3474	mutated: TA130E
131	G	A	-2.3080
132	Y	A	-1.2242
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9291
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