Project name: SH3_T130N

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA130N
Energy difference between WT (input) and mutated protein (by FoldX)	0.312871 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: -3.209
• Maximal score value: 1.7964
• Average score: -1.0298
• Total score value: -58.7

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	0.7318
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	-2.6257
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1024
99	D	A	-3.2090
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.3238
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	-0.6652
109	F	A	0.0000
110	Q	A	-0.7656
111	I	A	-0.1857
112	L	A	0.1434
113	N	A	-0.8228
114	S	A	-1.1403
115	S	A	-1.5752
116	E	A	-2.5635
117	G	A	-2.1368
118	D	A	-2.4479
119	W	A	-1.1098
120	W	A	-1.0394
121	E	A	-1.3959
122	A	A	0.0000
123	R	A	-2.1270
124	S	A	0.0000
125	L	A	-0.0311
126	T	A	-0.4077
127	T	A	-0.8877
128	G	A	-1.5095
129	E	A	-2.6759
130	N	A	-2.8141	mutated: TA130N
131	G	A	-2.0322
132	Y	A	-1.1003
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9246
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