Project name: SH3_4JZ4_N135W [mutate: NA135W]

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA135W
Energy difference between WT (input) and mutated protein (by FoldX)	-0.986265 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: -3.487
• Maximal score value: 1.2498
• Average score: -0.7741
• Total score value: -46.446

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	-0.1116
87	V	A	-0.6335
88	A	A	0.0000
89	L	A	0.0248
90	Y	A	-0.4892
91	D	A	-2.8694
92	Y	A	-2.1201
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	-1.3314
100	L	A	0.0000
101	S	A	-1.9038
102	F	A	0.0000
103	K	A	-3.4870
104	K	A	-2.8759
105	G	A	-1.9642
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	-0.4293
113	N	A	-1.8034
114	T	A	-1.7223
115	E	A	-2.9068
116	G	A	-2.2730
117	D	A	-2.1059
118	W	A	-0.9942
119	W	A	-0.4377
120	L	A	0.3893
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	0.2184
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.0710
135	W	A	1.1997	mutated: NA135W
136	Y	A	0.9064
137	V	A	0.0000
138	A	A	0.4224
139	P	A	-0.1505
140	S	A	-0.1759