Project name: SH3_N135K

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA135K
Energy difference between WT (input) and mutated protein (by FoldX)	-0.387132 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: -3.499
• Maximal score value: 1.2498
• Average score: -0.925
• Total score value: -55.5006

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
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1123
87	V	A	-0.6403
88	A	A	0.0000
89	L	A	-0.4297
90	Y	A	-0.8620
91	D	A	-2.8923
92	Y	A	-2.1317
93	E	A	-2.8821
94	S	A	0.0000
95	R	A	-2.7838
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3247
100	L	A	0.0000
101	S	A	-1.9038
102	F	A	0.0000
103	K	A	-3.4990
104	K	A	-2.8964
105	G	A	-1.9734
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4369
111	V	A	1.2498
112	N	A	-0.4219
113	N	A	-1.8174
114	T	A	-1.7348
115	E	A	-2.9405
116	G	A	-2.6603
117	D	A	-2.7692
118	W	A	-1.4241
119	W	A	-0.7498
120	L	A	0.4012
121	A	A	0.0000
122	H	A	-0.3840
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4950
130	G	A	0.0000
131	Y	A	0.2154
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.5238
135	K	A	-1.7186	mutated: NA135K
136	Y	A	-0.4975
137	V	A	0.0000
138	A	A	-0.1159
139	P	A	-0.1505
140	S	A	-0.1759