Project name: SH3_N136H

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA136H
Energy difference between WT (input) and mutated protein (by FoldX)	0.259467 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: -3.1028
• Maximal score value: 1.7964
• Average score: -0.9341
• Total score value: -53.2436

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
85	T	A	0.5173
86	L	A	0.7932
87	F	A	0.9388
88	V	A	0.4505
89	A	A	0.0000
90	L	A	-0.0717
91	Y	A	-0.5151
92	D	A	-2.5411
93	Y	A	-1.9103
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.3893
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5085
111	I	A	-0.0551
112	L	A	0.1440
113	N	A	-0.8783
114	S	A	-1.1616
115	S	A	-1.5766
116	E	A	-2.5301
117	G	A	-2.0742
118	D	A	-2.3616
119	W	A	-1.0258
120	W	A	-1.0063
121	E	A	-1.1438
122	A	A	0.0000
123	R	A	-1.7149
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6927
131	G	A	-1.4983
132	Y	A	-0.8649
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.7305
136	H	A	-0.8046	mutated: NA136H
137	Y	A	0.1383
138	V	A	0.0000
139	A	A	0.4952
140	P	A	0.7757
141	V	A	1.7964