Project name: SH3_A139H

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	AA139H
Energy difference between WT (input) and mutated protein (by FoldX)	-0.410038 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: 1.604
• Average score: -1.0169
• Total score value: -57.9652

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	0.4464
86	L	A	0.6838
87	F	A	0.6418
88	V	A	0.1430
89	A	A	0.0000
90	L	A	-0.3938
91	Y	A	-0.5877
92	D	A	-2.5652
93	Y	A	-1.9347
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	-2.7324
105	K	A	-2.4153
106	G	A	-1.5617
107	E	A	-1.3112
108	K	A	-0.7430
109	F	A	0.0000
110	Q	A	-0.4957
111	I	A	-0.0554
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.0597
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	-1.4992
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-1.0828
136	N	A	-1.3336
137	Y	A	-0.3390
138	V	A	0.0000
139	H	A	-0.5042	mutated: AA139H
140	P	A	0.4171
141	V	A	1.6040