Project name: SH3_N135P

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA135P
Energy difference between WT (input) and mutated protein (by FoldX)	0.0442789 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: -3.4674
• Maximal score value: 1.2498
• Average score: -0.8375
• Total score value: -50.2527

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	-0.0975
87	V	A	-0.6048
88	A	A	0.0000
89	L	A	-0.1081
90	Y	A	-0.5393
91	D	A	-2.8117
92	Y	A	-2.0811
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	-1.3230
100	L	A	0.0000
101	S	A	-1.9038
102	F	A	0.0000
103	K	A	-3.4674
104	K	A	-2.8252
105	G	A	-1.9497
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4376
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8137
114	T	A	-1.7328
115	E	A	-2.9359
116	G	A	-2.4951
117	D	A	-2.4999
118	W	A	-1.1934
119	W	A	-0.5912
120	L	A	0.4051
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	0.2201
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.7646
135	P	A	-0.1917	mutated: NA135P
136	Y	A	0.3677
137	V	A	0.0000
138	A	A	0.1814
139	P	A	-0.1505
140	S	A	-0.1759