Project name: SH3_T130K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA130K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.686453 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: -3.4608
• Maximal score value: 1.7964
• Average score: -1.0974
• Total score value: -62.5491

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	0.4794
86	L	A	0.6757
87	F	A	0.8638
88	V	A	0.3910
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	-3.2420
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.3780
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3372
108	K	A	-0.7752
109	F	A	0.0000
110	Q	A	-0.9790
111	I	A	-0.3390
112	L	A	-0.0671
113	N	A	-0.8180
114	S	A	-1.1257
115	S	A	-1.5700
116	E	A	-2.5369
117	G	A	-2.1167
118	D	A	-2.4257
119	W	A	-1.0633
120	W	A	-1.0115
121	E	A	-1.4216
122	A	A	0.0000
123	R	A	-2.7884
124	S	A	0.0000
125	L	A	-0.3562
126	T	A	-0.5618
127	T	A	-1.0899
128	G	A	-1.8436
129	E	A	-3.1334
130	K	A	-3.4608	mutated: TA130K
131	G	A	-2.3059
132	Y	A	-1.1779
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8990
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7561
141	V	A	1.7964