Project name: SH3_E129K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA129K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0896365 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: -3.1029
• Maximal score value: 1.7964
• Average score: -0.9527
• Total score value: -54.3017

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	0.5173
86	L	A	0.7932
87	F	A	0.9242
88	V	A	0.4320
89	A	A	0.0000
90	L	A	-0.1508
91	Y	A	-0.5745
92	D	A	-2.5596
93	Y	A	-1.9315
94	E	A	-2.6453
95	A	A	-2.6260
96	R	A	-2.9852
97	T	A	-2.6609
98	E	A	-3.1029
99	D	A	-3.0428
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1912
103	F	A	0.0000
104	H	A	-2.7275
105	K	A	-2.4052
106	G	A	-1.4570
107	E	A	-1.3055
108	K	A	-0.6415
109	F	A	0.0000
110	Q	A	-0.5085
111	I	A	-0.0563
112	L	A	0.1436
113	N	A	-0.8883
114	S	A	-1.1799
115	S	A	-1.5966
116	E	A	-2.5603
117	G	A	-2.1347
118	D	A	-2.4456
119	W	A	-1.1053
120	W	A	-1.0569
121	E	A	-1.1525
122	A	A	0.0000
123	R	A	-1.6751
124	S	A	0.0000
125	L	A	0.0794
126	T	A	-0.4531
127	T	A	-0.7809
128	G	A	-1.2976
129	K	A	-2.1178	mutated: EA129K
130	T	A	-1.6288
131	G	A	-1.4698
132	Y	A	-0.8671
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9214
136	N	A	-1.1508
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964