Project name: SH3_R123K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA123K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.569456 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: -3.103
• Maximal score value: 1.7897
• Average score: -0.9166
• Total score value: -52.2448

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	0.4946
86	L	A	0.7810
87	F	A	0.8728
88	V	A	0.3903
89	A	A	0.0000
90	L	A	-0.1516
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6260
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1030
99	D	A	-3.0470
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2067
103	F	A	0.0000
104	H	A	-2.7287
105	K	A	-2.4065
106	G	A	-1.4592
107	E	A	-1.3582
108	K	A	-0.6517
109	F	A	0.0000
110	Q	A	-0.3671
111	I	A	0.1825
112	L	A	0.5086
113	N	A	-0.7710
114	S	A	-1.1219
115	S	A	-1.5669
116	E	A	-2.5629
117	G	A	-2.1362
118	D	A	-2.4469
119	W	A	-1.1080
120	W	A	-0.9542
121	E	A	-0.9732
122	A	A	0.0000
123	K	A	-1.1293	mutated: RA123K
124	S	A	0.0000
125	L	A	-0.0195
126	T	A	-0.4848
127	T	A	-0.7564
128	G	A	-1.1770
129	E	A	-2.0528
130	T	A	-1.4172
131	G	A	-1.3351
132	Y	A	-0.7656
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9222
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4124
140	P	A	0.7622
141	V	A	1.7897