Project name: SH3_S102K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA102K
Energy difference between WT (input) and mutated protein (by FoldX)	0.0656547 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: -3.8106
• Maximal score value: 1.7837
• Average score: -1.0605
• Total score value: -60.4463

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	0.5254
86	L	A	0.8108
87	F	A	0.9052
88	V	A	0.3682
89	A	A	0.0000
90	L	A	-0.1757
91	Y	A	-0.5876
92	D	A	-2.8547
93	Y	A	-2.4618
94	E	A	-3.3058
95	A	A	-3.2604
96	R	A	-3.2321
97	T	A	-2.8462
98	E	A	-3.2909
99	D	A	-3.2130
100	D	A	0.0000
101	L	A	0.0000
102	K	A	-3.8106	mutated: SA102K
103	F	A	0.0000
104	H	A	-3.0639
105	K	A	-2.4236
106	G	A	-1.4835
107	E	A	-1.3245
108	K	A	-0.6634
109	F	A	0.0000
110	Q	A	-0.4991
111	I	A	-0.0519
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7014
124	S	A	0.0000
125	L	A	0.1042
126	T	A	-0.4495
127	T	A	-0.8066
128	G	A	-1.3409
129	E	A	-2.4220
130	T	A	-1.8532
131	G	A	-1.7269
132	Y	A	-1.0746
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1511
137	Y	A	-0.1380
138	V	A	0.0000
139	A	A	0.3954
140	P	A	0.7647
141	V	A	1.7837