Project name: SH3_4JZ4_N135S [mutate: NA135S]

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA135S
Energy difference between WT (input) and mutated protein (by FoldX)	0.257251 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: -3.4659
• Maximal score value: 1.2498
• Average score: -0.8386
• Total score value: -50.3171

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	-0.0954
87	V	A	-0.6009
88	A	A	0.0000
89	L	A	-0.0928
90	Y	A	-0.5187
91	D	A	-2.8047
92	Y	A	-2.0822
93	E	A	-2.8840
94	S	A	0.0000
95	R	A	-2.7842
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3269
100	L	A	0.0000
101	S	A	-1.9051
102	F	A	0.0000
103	K	A	-3.4659
104	K	A	-2.8189
105	G	A	-1.9486
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4374
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8139
114	T	A	-1.7328
115	E	A	-2.9360
116	G	A	-2.4943
117	D	A	-2.5003
118	W	A	-1.1959
119	W	A	-0.5939
120	L	A	0.4014
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	0.2140
132	I	A	0.0000
133	P	A	-0.2060
134	S	A	-0.7510
135	S	A	-0.1465	mutated: NA135S
136	Y	A	0.4047
137	V	A	0.0000
138	A	A	0.1931
139	P	A	-0.1505
140	S	A	-0.1759