Project name: SH3_H122L

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	HA122L
Energy difference between WT (input) and mutated protein (by FoldX)	-0.645243 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: -3.4838
• Maximal score value: 1.4257
• Average score: -0.8449
• Total score value: -50.696

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	-0.4408
82	S	A	-0.6689
83	H	A	-0.7814
84	M	A	0.2844
85	T	A	0.0000
86	F	A	-0.0819
87	V	A	-0.6107
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1549
97	E	A	-2.3535
98	T	A	-1.2425
99	D	A	-1.3252
100	L	A	0.0000
101	S	A	-1.9036
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-1.9419
108	L	A	0.0000
109	Q	A	0.0726
110	I	A	0.6380
111	V	A	1.4257
112	N	A	-0.3261
113	N	A	-1.8067
114	T	A	-1.7277
115	E	A	-2.9333
116	G	A	-2.6068
117	D	A	-2.6853
118	W	A	-1.3423
119	W	A	-0.6301
120	L	A	0.5531
121	A	A	0.0000
122	L	A	0.2773	mutated: HA122L
123	S	A	0.0000
124	L	A	-0.0377
125	T	A	-0.6698
126	T	A	-0.7823
127	G	A	-0.6824
128	Q	A	-1.2392
129	T	A	-0.2177
130	G	A	0.0000
131	Y	A	0.3032
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2867
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1412
140	S	A	-0.1759