Project name: SH3_N136K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA136K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.685198 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: -3.1028
• Maximal score value: 1.7964
• Average score: -0.9852
• Total score value: -56.1565

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	0.9233
88	V	A	0.4305
89	A	A	0.0000
90	L	A	-0.2134
91	Y	A	-0.6192
92	D	A	-2.5607
93	Y	A	-1.9324
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4066
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0567
112	L	A	0.1429
113	N	A	-0.8954
114	S	A	-1.1903
115	S	A	-1.6030
116	E	A	-2.5700
117	G	A	-2.1491
118	D	A	-2.5473
119	W	A	-1.2194
120	W	A	-1.1273
121	E	A	-1.1651
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6927
131	G	A	-1.5054
132	Y	A	-0.8829
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-1.1437
136	K	A	-1.5873	mutated: NA136K
137	Y	A	-0.3417
138	V	A	0.0000
139	A	A	0.3361
140	P	A	0.7757
141	V	A	1.7964