Project name: SH3_H122T

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	HA122T
Energy difference between WT (input) and mutated protein (by FoldX)	-0.028153 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: 1.2767
• Average score: -0.8912
• Total score value: -53.4715

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	-0.4626
82	S	A	-0.6982
83	H	A	-0.8024
84	M	A	0.2468
85	T	A	0.0000
86	F	A	-0.1300
87	V	A	-0.6355
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	-1.2446
99	D	A	-1.3277
100	L	A	0.0000
101	S	A	-1.9048
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	-2.0724
108	L	A	0.0000
109	Q	A	-0.2813
110	I	A	0.4426
111	V	A	1.2767
112	N	A	-0.3955
113	N	A	-1.8085
114	T	A	-1.7286
115	E	A	-2.9342
116	G	A	-2.6068
117	D	A	-2.6853
118	W	A	-1.3440
119	W	A	-0.6764
120	L	A	0.4313
121	A	A	0.0000
122	T	A	-0.2241	mutated: HA122T
123	S	A	0.0000
124	L	A	-0.2894
125	T	A	-0.7764
126	T	A	-0.8736
127	G	A	-0.8123
128	Q	A	-1.3752
129	T	A	-0.4332
130	G	A	0.0000
131	Y	A	0.2409
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2876
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1611
140	S	A	-0.1759